3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline

C314H202N20 — CID 159795673

IUPAC3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)c4c(ccc5ccccc54)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)c4c(ccc5ccccc54)n3)cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6ccc7ccccc7c6)nc6ccc7ccccc7c56)c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)c4c(ccc5ccccc54)n3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccc9ccccc9c8)nc8ccc9ccccc9c78)c6)c5c4)ccc32)cc1
InChIInChI=1S/C70H44N4.2C63H42N4.C60H38N4.C58H36N4/c1-4-15-45(16-5-1)50-30-35-64-59(41-50)61-43-52(32-37-65(61)73(64)56-23-8-3-9-24-56)53-33-38-67-62(44-53)60-42-51(46-17-6-2-7-18-46)31-36-66(60)74(67)57-25-14-22-54(40-57)69-68-58-26-13-12-20-48(58)29-34-63(68)71-70(72-69)55-28-27-47-19-10-11-21-49(47)39-55;1-63(2)53-24-11-8-21-47(53)48-31-28-43(37-54(48)63)62-64-55-33-29-39-15-6-7-20-46(39)60(55)61(65-62)42-16-14-19-45(35-42)67-56-25-12-9-22-49(56)51-32-27-41(38-59(51)67)40-30-34-58-52(36-40)50-23-10-13-26-57(50)66(58)44-17-4-3-5-18-44;1-63(2)53-21-11-8-18-47(53)48-32-27-43(37-54(48)63)62-64-55-34-28-39-14-6-7-17-46(39)60(55)61(65-62)40-24-30-45(31-25-40)67-56-22-12-9-19-49(56)51-33-26-42(38-59(51)67)41-29-35-58-52(36-41)50-20-10-13-23-57(50)66(58)44-15-4-3-5-16-44;1-3-15-39(16-4-1)41-18-13-20-45(35-41)60-61-53-33-30-40-17-7-8-24-48(40)58(53)59(62-60)44-19-14-23-47(36-44)64-54-27-11-9-25-49(54)51-32-29-43(38-57(51)64)42-31-34-56-52(37-42)50-26-10-12-28-55(50)63(56)46-21-5-2-6-22-46;1-2-17-44(18-3-1)61-53-24-11-9-22-48(53)50-35-40(29-32-54(50)61)41-27-30-49-47-21-8-10-23-52(47)62(55(49)36-41)45-19-12-16-42(34-45)57-56-46-20-7-6-14-38(46)28-31-51(56)59-58(60-57)43-26-25-37-13-4-5-15-39(37)33-43/h1-44H;2*3-38H,1-2H3;1-38H;1-36H
InChIKeyNJDIBXSAORQKHE-UHFFFAOYSA-N
MW4255.21 g/mol
LogP81.81
Rot. Bonds28

About 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline

3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline (PubChem CID 159795673) has the molecular formula C314H202N20 and a molecular weight of 4255.21 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
PubChem CID159795673
Molecular FormulaC314H202N20
Molecular Weight4255.21 g/mol
Exact Mass4251.64
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)c4c(ccc5ccccc54)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)c4c(ccc5ccccc54)n3)cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6ccc7ccccc7c6)nc6ccc7ccccc7c56)c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)c4c(ccc5ccccc54)n3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccc9ccccc9c8)nc8ccc9ccccc9c78)c6)c5c4)ccc32)cc1
InChIInChI=1S/C70H44N4.2C63H42N4.C60H38N4.C58H36N4/c1-4-15-45(16-5-1)50-30-35-64-59(41-50)61-43-52(32-37-65(61)73(64)56-23-8-3-9-24-56)53-33-38-67-62(44-53)60-42-51(46-17-6-2-7-18-46)31-36-66(60)74(67)57-25-14-22-54(40-57)69-68-58-26-13-12-20-48(58)29-34-63(68)71-70(72-69)55-28-27-47-19-10-11-21-49(47)39-55;1-63(2)53-24-11-8-21-47(53)48-31-28-43(37-54(48)63)62-64-55-33-29-39-15-6-7-20-46(39)60(55)61(65-62)42-16-14-19-45(35-42)67-56-25-12-9-22-49(56)51-32-27-41(38-59(51)67)40-30-34-58-52(36-40)50-23-10-13-26-57(50)66(58)44-17-4-3-5-18-44;1-63(2)53-21-11-8-18-47(53)48-32-27-43(37-54(48)63)62-64-55-34-28-39-14-6-7-17-46(39)60(55)61(65-62)40-24-30-45(31-25-40)67-56-22-12-9-19-49(56)51-33-26-42(38-59(51)67)41-29-35-58-52(36-41)50-20-10-13-23-57(50)66(58)44-15-4-3-5-16-44;1-3-15-39(16-4-1)41-18-13-20-45(35-41)60-61-53-33-30-40-17-7-8-24-48(40)58(53)59(62-60)44-19-14-23-47(36-44)64-54-27-11-9-25-49(54)51-32-29-43(38-57(51)64)42-31-34-56-52(37-42)50-26-10-12-28-55(50)63(56)46-21-5-2-6-22-46;1-2-17-44(18-3-1)61-53-24-11-9-22-48(53)50-35-40(29-32-54(50)61)41-27-30-49-47-21-8-10-23-52(47)62(55(49)36-41)45-19-12-16-42(34-45)57-56-46-20-7-6-14-38(46)28-31-51(56)59-58(60-57)43-26-25-37-13-4-5-15-39(37)33-43/h1-44H;2*3-38H,1-2H3;1-38H;1-36H
InChIKeyNJDIBXSAORQKHE-UHFFFAOYSA-N
XLogP81.81
TPSA178.20 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms334
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004255.21
LogP ≤ 581.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline with MolForge

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Related Compounds

1-(9,9-dimethylfluoren-3-yl)-3-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]benzo[f]quinazoline
CID 121401852
4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 157055848
2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
CID 157420787
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
3-[3-(11,11-dimethylbenzo[b]fluoren-8-yl)phenyl]-1-phenylbenzo[f]quinazoline
CID 155465595
3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-phenylbenzo[f]quinazoline;3-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-(3-phenylphenyl)benzo[f]quinazoline
CID 158745072
4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(9,9-dimethylfluoren-2-yl)benzo[h]quinazoline;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-naphthalen-2-ylbenzo[h]quinazoline;2-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline
CID 159811321
1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
CID 134189758
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 160512960
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline (CID 159795673) is 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)cc4)c4c(ccc5ccccc54)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)c4c(ccc5ccccc54)n3)cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6ccc7ccccc7c6)nc6ccc7ccccc7c56)c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)c4)c4c(ccc5ccccc54)n3)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccc9ccccc9c8)nc8ccc9ccccc9c78)c6)c5c4)ccc32)cc1.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline?
The InChIKey is NJDIBXSAORQKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N4.2C63H42N4.C60H38N4.C58H36N4/c1-4-15-45(16-5-1)50-30-35-64-59(41-50)61-43-52(32-37-65(61)73(64)56-23-8-3-9-24-56)53-33-38-67-62(44-53)60-42-51(46-17-6-2-7-18-46)31-36-66(60)74(67)57-25-14-22-54(40-57)69-68-58-26-13-12-20-48(58)29-34-63(68)71-70(72-69)55-28-27-47-19-10-11-21-49(47)39-55;1-63(2)53-24-11-8-21-47(53)48-31-28-43(37-54(48)63)62-64-55-33-29-39-15-6-7-20-46(39)60(55)61(65-62)42-16-14-19-45(35-42)67-56-25-12-9-22-49(56)51-32-27-41(38-59(51)67)40-30-34-58-52(36-40)50-23-10-13-26-57(50)66(58)44-17-4-3-5-18-44;1-63(2)53-21-11-8-18-47(53)48-32-27-43(37-54(48)63)62-64-55-34-28-39-14-6-7-17-46(39)60(55)61(65-62)40-24-30-45(31-25-40)67-56-22-12-9-19-49(56)51-33-26-42(38-59(51)67)41-29-35-58-52(36-41)50-20-10-13-23-57(50)66(58)44-15-4-3-5-16-44;1-3-15-39(16-4-1)41-18-13-20-45(35-41)60-61-53-33-30-40-17-7-8-24-48(40)58(53)59(62-60)44-19-14-23-47(36-44)64-54-27-11-9-25-49(54)51-32-29-43(38-57(51)64)42-31-34-56-52(37-42)50-26-10-12-28-55(50)63(56)46-21-5-2-6-22-46;1-2-17-44(18-3-1)61-53-24-11-9-22-48(53)50-35-40(29-32-54(50)61)41-27-30-49-47-21-8-10-23-52(47)62(55(49)36-41)45-19-12-16-42(34-45)57-56-46-20-7-6-14-38(46)28-31-51(56)59-58(60-57)43-26-25-37-13-4-5-15-39(37)33-43/h1-44H;2*3-38H,1-2H3;1-38H;1-36H.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline?
3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline has a molecular weight of 4255.21 g/mol, XLogP of 81.81, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline is sourced from PubChem (CID 159795673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).