11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole

C57H47N — CID 142380494

IUPAC11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3cc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc(N4c5c(ccc6c5C(C)(C)c5ccccc5-6)C5C=CC=CC54)c3)c21
InChIInChI=1S/C57H47N/c1-55(2)47-25-11-7-17-39(47)43-23-15-21-37(51(43)55)34-31-35(38-22-16-24-44-40-18-8-12-26-48(40)56(3,4)52(38)44)33-36(32-34)58-50-28-14-10-20-42(50)46-30-29-45-41-19-9-13-27-49(41)57(5,6)53(45)54(46)58/h7-33,42,50H,1-6H3
InChIKeyFCYRPWVYACJDJE-UHFFFAOYSA-N
MW746.01 g/mol
LogP14.67
Rot. Bonds3

About 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole

11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole (PubChem CID 142380494) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole
PubChem CID142380494
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC Name11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3cc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc(N4c5c(ccc6c5C(C)(C)c5ccccc5-6)C5C=CC=CC54)c3)c21
InChIInChI=1S/C57H47N/c1-55(2)47-25-11-7-17-39(47)43-23-15-21-37(51(43)55)34-31-35(38-22-16-24-44-40-18-8-12-26-48(40)56(3,4)52(38)44)33-36(32-34)58-50-28-14-10-20-42(50)46-30-29-45-41-19-9-13-27-49(41)57(5,6)53(45)54(46)58/h7-33,42,50H,1-6H3
InChIKeyFCYRPWVYACJDJE-UHFFFAOYSA-N
XLogP14.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.01
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(3,5-diphenylphenyl)-3-[9-(3,5-diphenylphenyl)-4b,8a-dihydrocarbazol-1-yl]carbazole
CID 118312808
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
1-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266577
10-[3-[(4aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9,9-dimethylacridine
CID 170073966
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
[3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 167382039
9-[4-[4-[2-(3,4a-dimethyl-4,9a-dihydro-3H-carbazol-9-yl)phenyl]-2-cyanophenyl]phenyl]-4b,8a-dihydrocarbazole-1-carbonitrile
CID 167280156
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
6-[3-[4-[7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075493
3-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]phenanthrene
CID 123769360
17,17,21,24,24-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.010,18.011,16.023,31.025,30]tritriaconta-1(22),2,4,6,8,10(18),11,13,15,19,23(31),25,27,29,32-pentadecaene
CID 139506414
5-[2-[2-[(9aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]cyclohexa-1,3-dien-1-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126695741

Frequently Asked Questions

What is the IUPAC name of 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole?
The IUPAC name of 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole (CID 142380494) is 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole.
What is the SMILES notation for 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole?
The canonical SMILES for 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2cccc(-c3cc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc(N4c5c(ccc6c5C(C)(C)c5ccccc5-6)C5C=CC=CC54)c3)c21.
What is the InChIKey of 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole?
The InChIKey is FCYRPWVYACJDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-55(2)47-25-11-7-17-39(47)43-23-15-21-37(51(43)55)34-31-35(38-22-16-24-44-40-18-8-12-26-48(40)56(3,4)52(38)44)33-36(32-34)58-50-28-14-10-20-42(50)46-30-29-45-41-19-9-13-27-49(41)57(5,6)53(45)54(46)58/h7-33,42,50H,1-6H3.
What are the key properties of 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole?
11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole has a molecular weight of 746.01 g/mol, XLogP of 14.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]-12,12-dimethyl-6b,10a-dihydroindeno[2,1-a]carbazole is sourced from PubChem (CID 142380494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).