6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole

C345H312N16 — CID 158566309

IUPAC6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc7c(c6)C6(C)CCCCC6(C)N7c6ccc(C(C)(C)C)cc6)ccc4-5)cc3C3(C)CCCCC23C)cc1.CC12CCCCC1(C)N(c1cccc3ccccc13)c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5cccc6ccccc56)ccc3-4)cc12.CC12CCCCC1(C)N(c1ccncc1)c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5ccncc5)ccc3-4)cc12.CC12CCCCC1(C)N(c1nccc3ccccc13)c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5nccc6ccccc56)ccc3-4)cc12.Cc1cc(N2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc7c(c6)C6(C)CCCCC6(C)N7c6ccnc(C)c6)ccc4-5)cc3C3(C)CCCCC23C)ccn1
InChIInChI=1S/C73H62N2.C73H74N2.C71H60N4.C65H60N4.C63H56N4/c1-69-39-13-15-41-71(69,3)74(65-29-17-21-47-19-5-7-23-53(47)65)67-37-33-51(45-63(67)69)49-31-35-57-58-36-32-50(44-62(58)73(61(57)43-49)59-27-11-9-25-55(59)56-26-10-12-28-60(56)73)52-34-38-68-64(46-52)70(2)40-14-16-42-72(70,4)75(68)66-30-18-22-48-20-6-8-24-54(48)66;1-67(2,3)51-27-31-53(32-28-51)74-65-37-25-49(45-63(65)69(7)39-15-17-41-71(69,74)9)47-23-35-57-58-36-24-48(44-62(58)73(61(57)43-47)59-21-13-11-19-55(59)56-20-12-14-22-60(56)73)50-26-38-66-64(46-50)70(8)40-16-18-42-72(70,10)75(66)54-33-29-52(30-34-54)68(4,5)6;1-67-35-13-15-37-69(67,3)74(65-51-19-7-5-17-45(51)33-39-72-65)63-31-27-49(43-61(63)67)47-25-29-55-56-30-26-48(42-60(56)71(59(55)41-47)57-23-11-9-21-53(57)54-22-10-12-24-58(54)71)50-28-32-64-62(44-50)68(2)36-14-16-38-70(68,4)75(64)66-52-20-8-6-18-46(52)34-40-73-66;1-41-35-47(27-33-66-41)68-59-25-21-45(39-57(59)61(3)29-11-13-31-63(61,68)5)43-19-23-51-52-24-20-44(38-56(52)65(55(51)37-43)53-17-9-7-15-49(53)50-16-8-10-18-54(50)65)46-22-26-60-58(40-46)62(4)30-12-14-32-64(62,6)69(60)48-28-34-67-42(2)36-48;1-59-29-9-11-31-61(59,3)66(45-25-33-64-34-26-45)57-23-19-43(39-55(57)59)41-17-21-49-50-22-18-42(38-54(50)63(53(49)37-41)51-15-7-5-13-47(51)48-14-6-8-16-52(48)63)44-20-24-58-56(40-44)60(2)30-10-12-32-62(60,4)67(58)46-27-35-65-36-28-46/h5-12,17-38,43-46H,13-16,39-42H2,1-4H3;11-14,19-38,43-46H,15-18,39-42H2,1-10H3;5-12,17-34,39-44H,13-16,35-38H2,1-4H3;7-10,15-28,33-40H,11-14,29-32H2,1-6H3;5-8,13-28,33-40H,9-12,29-32H2,1-4H3
InChIKeyHRNCQWIBGITHHU-UHFFFAOYSA-N
MW4682.40 g/mol
LogP88.44
Rot. Bonds20

About 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole

6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 158566309) has the molecular formula C345H312N16 and a molecular weight of 4682.40 g/mol. Its IUPAC name is 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole
PubChem CID158566309
Molecular FormulaC345H312N16
Molecular Weight4682.40 g/mol
Exact Mass4678.49
IUPAC Name6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole
SMILESCC(C)(C)c1ccc(N2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc7c(c6)C6(C)CCCCC6(C)N7c6ccc(C(C)(C)C)cc6)ccc4-5)cc3C3(C)CCCCC23C)cc1.CC12CCCCC1(C)N(c1cccc3ccccc13)c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5cccc6ccccc56)ccc3-4)cc12.CC12CCCCC1(C)N(c1ccncc1)c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5ccncc5)ccc3-4)cc12.CC12CCCCC1(C)N(c1nccc3ccccc13)c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5nccc6ccccc56)ccc3-4)cc12.Cc1cc(N2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc7c(c6)C6(C)CCCCC6(C)N7c6ccnc(C)c6)ccc4-5)cc3C3(C)CCCCC23C)ccn1
InChIInChI=1S/C73H62N2.C73H74N2.C71H60N4.C65H60N4.C63H56N4/c1-69-39-13-15-41-71(69,3)74(65-29-17-21-47-19-5-7-23-53(47)65)67-37-33-51(45-63(67)69)49-31-35-57-58-36-32-50(44-62(58)73(61(57)43-49)59-27-11-9-25-55(59)56-26-10-12-28-60(56)73)52-34-38-68-64(46-52)70(2)40-14-16-42-72(70,4)75(68)66-30-18-22-48-20-6-8-24-54(48)66;1-67(2,3)51-27-31-53(32-28-51)74-65-37-25-49(45-63(65)69(7)39-15-17-41-71(69,74)9)47-23-35-57-58-36-24-48(44-62(58)73(61(57)43-47)59-21-13-11-19-55(59)56-20-12-14-22-60(56)73)50-26-38-66-64(46-50)70(8)40-16-18-42-72(70,10)75(66)54-33-29-52(30-34-54)68(4,5)6;1-67-35-13-15-37-69(67,3)74(65-51-19-7-5-17-45(51)33-39-72-65)63-31-27-49(43-61(63)67)47-25-29-55-56-30-26-48(42-60(56)71(59(55)41-47)57-23-11-9-21-53(57)54-22-10-12-24-58(54)71)50-28-32-64-62(44-50)68(2)36-14-16-38-70(68,4)75(64)66-52-20-8-6-18-46(52)34-40-73-66;1-41-35-47(27-33-66-41)68-59-25-21-45(39-57(59)61(3)29-11-13-31-63(61,68)5)43-19-23-51-52-24-20-44(38-56(52)65(55(51)37-43)53-17-9-7-15-49(53)50-16-8-10-18-54(50)65)46-22-26-60-58(40-46)62(4)30-12-14-32-64(62,6)69(60)48-28-34-67-42(2)36-48;1-59-29-9-11-31-61(59,3)66(45-25-33-64-34-26-45)57-23-19-43(39-55(57)59)41-17-21-49-50-22-18-42(38-54(50)63(53(49)37-41)51-15-7-5-13-47(51)48-14-6-8-16-52(48)63)44-20-24-58-56(40-44)60(2)30-10-12-32-62(60,4)67(58)46-27-35-65-36-28-46/h5-12,17-38,43-46H,13-16,39-42H2,1-4H3;11-14,19-38,43-46H,15-18,39-42H2,1-10H3;5-12,17-34,39-44H,13-16,35-38H2,1-4H3;7-10,15-28,33-40H,11-14,29-32H2,1-6H3;5-8,13-28,33-40H,9-12,29-32H2,1-4H3
InChIKeyHRNCQWIBGITHHU-UHFFFAOYSA-N
XLogP88.44
TPSA109.74 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms361
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004682.40
LogP ≤ 588.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole (CID 158566309) is 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole is CC(C)(C)c1ccc(N2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc7c(c6)C6(C)CCCCC6(C)N7c6ccc(C(C)(C)C)cc6)ccc4-5)cc3C3(C)CCCCC23C)cc1.CC12CCCCC1(C)N(c1cccc3ccccc13)c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5cccc6ccccc56)ccc3-4)cc12.CC12CCCCC1(C)N(c1ccncc1)c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5ccncc5)ccc3-4)cc12.CC12CCCCC1(C)N(c1nccc3ccccc13)c1ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(C)CCCCC5(C)N6c5nccc6ccccc56)ccc3-4)cc12.Cc1cc(N2c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(-c6ccc7c(c6)C6(C)CCCCC6(C)N7c6ccnc(C)c6)ccc4-5)cc3C3(C)CCCCC23C)ccn1.
What is the InChIKey of 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is HRNCQWIBGITHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H62N2.C73H74N2.C71H60N4.C65H60N4.C63H56N4/c1-69-39-13-15-41-71(69,3)74(65-29-17-21-47-19-5-7-23-53(47)65)67-37-33-51(45-63(67)69)49-31-35-57-58-36-32-50(44-62(58)73(61(57)43-49)59-27-11-9-25-55(59)56-26-10-12-28-60(56)73)52-34-38-68-64(46-52)70(2)40-14-16-42-72(70,4)75(68)66-30-18-22-48-20-6-8-24-54(48)66;1-67(2,3)51-27-31-53(32-28-51)74-65-37-25-49(45-63(65)69(7)39-15-17-41-71(69,74)9)47-23-35-57-58-36-24-48(44-62(58)73(61(57)43-47)59-21-13-11-19-55(59)56-20-12-14-22-60(56)73)50-26-38-66-64(46-50)70(8)40-16-18-42-72(70,10)75(66)54-33-29-52(30-34-54)68(4,5)6;1-67-35-13-15-37-69(67,3)74(65-51-19-7-5-17-45(51)33-39-72-65)63-31-27-49(43-61(63)67)47-25-29-55-56-30-26-48(42-60(56)71(59(55)41-47)57-23-11-9-21-53(57)54-22-10-12-24-58(54)71)50-28-32-64-62(44-50)68(2)36-14-16-38-70(68,4)75(64)66-52-20-8-6-18-46(52)34-40-73-66;1-41-35-47(27-33-66-41)68-59-25-21-45(39-57(59)61(3)29-11-13-31-63(61,68)5)43-19-23-51-52-24-20-44(38-56(52)65(55(51)37-43)53-17-9-7-15-49(53)50-16-8-10-18-54(50)65)46-22-26-60-58(40-46)62(4)30-12-14-32-64(62,6)69(60)48-28-34-67-42(2)36-48;1-59-29-9-11-31-61(59,3)66(45-25-33-64-34-26-45)57-23-19-43(39-55(57)59)41-17-21-49-50-22-18-42(38-54(50)63(53(49)37-41)51-15-7-5-13-47(51)48-14-6-8-16-52(48)63)44-20-24-58-56(40-44)60(2)30-10-12-32-62(60,4)67(58)46-27-35-65-36-28-46/h5-12,17-38,43-46H,13-16,39-42H2,1-4H3;11-14,19-38,43-46H,15-18,39-42H2,1-10H3;5-12,17-34,39-44H,13-16,35-38H2,1-4H3;7-10,15-28,33-40H,11-14,29-32H2,1-6H3;5-8,13-28,33-40H,9-12,29-32H2,1-4H3.
What are the key properties of 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole?
6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 4682.40 g/mol, XLogP of 88.44, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7'-[4b,8a-dimethyl-9-(2-methyl-4-pyridinyl)-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-naphthalen-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-naphthalen-1-yl-1,2,3,4-tetrahydrocarbazole;6-[7'-(4b,8a-dimethyl-9-pyridin-4-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-9-pyridin-4-yl-1,2,3,4-tetrahydrocarbazole;9-(4-tert-butylphenyl)-6-[7'-[9-(4-tert-butylphenyl)-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole;9-isoquinolin-1-yl-6-[7'-(9-isoquinolin-1-yl-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 158566309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).