9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole

C421H280N12 — CID 159170419

IUPAC9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)cc1.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c9ccccc89)ccc6-7)c6ccccc56)ccc43)cc21.Cc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(C)cc(C)c8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccn8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)nc1.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21
InChIInChI=1S/C99H66N2.C89H66N2.C85H58N2.C79H48N4.C69H42N2/c1-97(2)85-31-15-9-25-73(85)77-45-41-63(57-89(77)97)100-93-35-19-13-29-81(93)83-53-59(39-51-95(83)100)65-47-49-67(71-23-7-5-21-69(65)71)61-37-43-79-80-44-38-62(56-92(80)99(91(79)55-61)87-33-17-11-27-75(87)76-28-12-18-34-88(76)99)68-50-48-66(70-22-6-8-24-72(68)70)60-40-52-96-84(54-60)82-30-14-20-36-94(82)101(96)64-42-46-78-74-26-10-16-32-86(74)98(3,4)90(78)58-64;1-87(2,3)59-35-39-61(40-36-59)90-83-29-17-13-25-75(83)77-51-55(33-49-85(77)90)63-45-47-65(69-21-9-7-19-67(63)69)57-31-43-73-74-44-32-58(54-82(74)89(81(73)53-57)79-27-15-11-23-71(79)72-24-12-16-28-80(72)89)66-48-46-64(68-20-8-10-22-70(66)68)56-34-50-86-78(52-56)76-26-14-18-30-84(76)91(86)62-41-37-60(38-42-62)88(4,5)6;1-51-41-52(2)44-59(43-51)86-81-27-15-11-23-73(81)75-47-55(31-39-83(75)86)61-35-37-63(67-19-7-5-17-65(61)67)57-29-33-71-72-34-30-58(50-80(72)85(79(71)49-57)77-25-13-9-21-69(77)70-22-10-14-26-78(70)85)64-38-36-62(66-18-6-8-20-68(64)66)56-32-40-84-76(48-56)74-24-12-16-28-82(74)87(84)60-45-53(3)42-54(4)46-60;1-3-19-59-55(39-37-53(57(59)17-1)49-33-41-75-67(45-49)65-23-7-11-27-73(65)82(75)77-29-13-15-43-80-77)51-31-35-63-64-36-32-52(48-72(64)79(71(63)47-51)69-25-9-5-21-61(69)62-22-6-10-26-70(62)79)56-40-38-54(58-18-2-4-20-60(56)58)50-34-42-76-68(46-50)66-24-8-12-28-74(66)83(76)78-30-14-16-44-81-78;1-3-19-49-43(15-1)17-13-29-63(49)70-65-27-11-7-23-55(65)57-39-45(33-37-67(57)70)47-31-35-53-54-36-32-48(42-62(54)69(61(53)41-47)59-25-9-5-21-51(59)52-22-6-10-26-60(52)69)46-34-38-68-58(40-46)56-24-8-12-28-66(56)71(68)64-30-14-18-44-16-2-4-20-50(44)64/h5-58H,1-4H3;7-54H,1-6H3;5-50H,1-4H3;1-48H;1-42H
InChIKeyKLPQKXRLNOZWJI-UHFFFAOYSA-N
MW5506.96 g/mol
LogP109.89
Rot. Bonds28

About 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole

9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole (PubChem CID 159170419) has the molecular formula C421H280N12 and a molecular weight of 5506.96 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole
PubChem CID159170419
Molecular FormulaC421H280N12
Molecular Weight5506.96 g/mol
Exact Mass5502.23
IUPAC Name9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)cc1.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c9ccccc89)ccc6-7)c6ccccc56)ccc43)cc21.Cc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(C)cc(C)c8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccn8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)nc1.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21
InChIInChI=1S/C99H66N2.C89H66N2.C85H58N2.C79H48N4.C69H42N2/c1-97(2)85-31-15-9-25-73(85)77-45-41-63(57-89(77)97)100-93-35-19-13-29-81(93)83-53-59(39-51-95(83)100)65-47-49-67(71-23-7-5-21-69(65)71)61-37-43-79-80-44-38-62(56-92(80)99(91(79)55-61)87-33-17-11-27-75(87)76-28-12-18-34-88(76)99)68-50-48-66(70-22-6-8-24-72(68)70)60-40-52-96-84(54-60)82-30-14-20-36-94(82)101(96)64-42-46-78-74-26-10-16-32-86(74)98(3,4)90(78)58-64;1-87(2,3)59-35-39-61(40-36-59)90-83-29-17-13-25-75(83)77-51-55(33-49-85(77)90)63-45-47-65(69-21-9-7-19-67(63)69)57-31-43-73-74-44-32-58(54-82(74)89(81(73)53-57)79-27-15-11-23-71(79)72-24-12-16-28-80(72)89)66-48-46-64(68-20-8-10-22-70(66)68)56-34-50-86-78(52-56)76-26-14-18-30-84(76)91(86)62-41-37-60(38-42-62)88(4,5)6;1-51-41-52(2)44-59(43-51)86-81-27-15-11-23-73(81)75-47-55(31-39-83(75)86)61-35-37-63(67-19-7-5-17-65(61)67)57-29-33-71-72-34-30-58(50-80(72)85(79(71)49-57)77-25-13-9-21-69(77)70-22-10-14-26-78(70)85)64-38-36-62(66-18-6-8-20-68(64)66)56-32-40-84-76(48-56)74-24-12-16-28-82(74)87(84)60-45-53(3)42-54(4)46-60;1-3-19-59-55(39-37-53(57(59)17-1)49-33-41-75-67(45-49)65-23-7-11-27-73(65)82(75)77-29-13-15-43-80-77)51-31-35-63-64-36-32-52(48-72(64)79(71(63)47-51)69-25-9-5-21-61(69)62-22-6-10-26-70(62)79)56-40-38-54(58-18-2-4-20-60(56)58)50-34-42-76-68(46-50)66-24-8-12-28-74(66)83(76)78-30-14-16-44-81-78;1-3-19-49-43(15-1)17-13-29-63(49)70-65-27-11-7-23-55(65)57-39-45(33-37-67(57)70)47-31-35-53-54-36-32-48(42-62(54)69(61(53)41-47)59-25-9-5-21-51(59)52-22-6-10-26-60(52)69)46-34-38-68-58(40-46)56-24-8-12-28-66(56)71(68)64-30-14-18-44-16-2-4-20-50(44)64/h5-58H,1-4H3;7-54H,1-6H3;5-50H,1-4H3;1-48H;1-42H
InChIKeyKLPQKXRLNOZWJI-UHFFFAOYSA-N
XLogP109.89
TPSA75.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms433
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005506.96
LogP ≤ 5109.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole with MolForge

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Related Compounds

3-[4-[(E)-2-[7-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9-phenylcarbazole;3-[4-[(E)-2-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole;3-[(E)-2-[4-[7-[9-(3,5-dimethylphenyl)carbazol-3-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole;3-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9-(4-phenylphenyl)carbazole;3-[4-[(E)-2-[4-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 159938026
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole
CID 162139174
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370708
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158579242
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159107131
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole?
The IUPAC name of 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole (CID 159170419) is 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole?
The canonical SMILES for 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)cc1.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6cc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)c9ccccc89)ccc6-7)c6ccccc56)ccc43)cc21.Cc1cc(C)cc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8cc(C)cc(C)c8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccn8)c8ccccc78)ccc5-6)c5ccccc45)ccc32)nc1.c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc21.
What is the InChIKey of 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole?
The InChIKey is KLPQKXRLNOZWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H66N2.C89H66N2.C85H58N2.C79H48N4.C69H42N2/c1-97(2)85-31-15-9-25-73(85)77-45-41-63(57-89(77)97)100-93-35-19-13-29-81(93)83-53-59(39-51-95(83)100)65-47-49-67(71-23-7-5-21-69(65)71)61-37-43-79-80-44-38-62(56-92(80)99(91(79)55-61)87-33-17-11-27-75(87)76-28-12-18-34-88(76)99)68-50-48-66(70-22-6-8-24-72(68)70)60-40-52-96-84(54-60)82-30-14-20-36-94(82)101(96)64-42-46-78-74-26-10-16-32-86(74)98(3,4)90(78)58-64;1-87(2,3)59-35-39-61(40-36-59)90-83-29-17-13-25-75(83)77-51-55(33-49-85(77)90)63-45-47-65(69-21-9-7-19-67(63)69)57-31-43-73-74-44-32-58(54-82(74)89(81(73)53-57)79-27-15-11-23-71(79)72-24-12-16-28-80(72)89)66-48-46-64(68-20-8-10-22-70(66)68)56-34-50-86-78(52-56)76-26-14-18-30-84(76)91(86)62-41-37-60(38-42-62)88(4,5)6;1-51-41-52(2)44-59(43-51)86-81-27-15-11-23-73(81)75-47-55(31-39-83(75)86)61-35-37-63(67-19-7-5-17-65(61)67)57-29-33-71-72-34-30-58(50-80(72)85(79(71)49-57)77-25-13-9-21-69(77)70-22-10-14-26-78(70)85)64-38-36-62(66-18-6-8-20-68(64)66)56-32-40-84-76(48-56)74-24-12-16-28-82(74)87(84)60-45-53(3)42-54(4)46-60;1-3-19-59-55(39-37-53(57(59)17-1)49-33-41-75-67(45-49)65-23-7-11-27-73(65)82(75)77-29-13-15-43-80-77)51-31-35-63-64-36-32-52(48-72(64)79(71(63)47-51)69-25-9-5-21-61(69)62-22-6-10-26-70(62)79)56-40-38-54(58-18-2-4-20-60(56)58)50-34-42-76-68(46-50)66-24-8-12-28-74(66)83(76)78-30-14-16-44-81-78;1-3-19-49-43(15-1)17-13-29-63(49)70-65-27-11-7-23-55(65)57-39-45(33-37-67(57)70)47-31-35-53-54-36-32-48(42-62(54)69(61(53)41-47)59-25-9-5-21-51(59)52-22-6-10-26-60(52)69)46-34-38-68-58(40-46)56-24-8-12-28-66(56)71(68)64-30-14-18-44-16-2-4-20-50(44)64/h5-58H,1-4H3;7-54H,1-6H3;5-50H,1-4H3;1-48H;1-42H.
What are the key properties of 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole?
9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole has a molecular weight of 5506.96 g/mol, XLogP of 109.89, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-3-[4-[7'-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[4-[7'-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-(3,5-dimethylphenyl)-3-[4-[7'-[4-[9-(3,5-dimethylphenyl)carbazol-3-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole;9-naphthalen-1-yl-3-[7'-(9-naphthalen-1-ylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;9-pyridin-2-yl-3-[4-[7'-[4-(9-pyridin-2-ylcarbazol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 159170419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).