6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine

C59H52N2 — CID 169029910

IUPAC6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)-c1c(N(c2cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c2)c2ccccc2-c2ccccc2)cccc1C3(C)C
InChIInChI=1S/C59H52N2/c1-57(2)33-34-58(3,4)51-38-49-47(37-50(51)57)56-48(59(49,5)6)27-18-30-54(56)61(52-28-15-13-25-44(52)39-19-9-7-10-20-39)43-24-17-21-40(35-43)41-31-32-46-45-26-14-16-29-53(45)60(55(46)36-41)42-22-11-8-12-23-42/h7-32,35-38H,33-34H2,1-6H3
InChIKeyOSGPSWHGPDGNIJ-UHFFFAOYSA-N
MW789.08 g/mol
LogP16.24
Rot. Bonds6

About 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine

6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine (PubChem CID 169029910) has the molecular formula C59H52N2 and a molecular weight of 789.08 g/mol. Its IUPAC name is 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine.

Molecular Properties

Compound Name6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine
PubChem CID169029910
Molecular FormulaC59H52N2
Molecular Weight789.08 g/mol
Exact Mass788.41
IUPAC Name6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)-c1c(N(c2cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c2)c2ccccc2-c2ccccc2)cccc1C3(C)C
InChIInChI=1S/C59H52N2/c1-57(2)33-34-58(3,4)51-38-49-47(37-50(51)57)56-48(59(49,5)6)27-18-30-54(56)61(52-28-15-13-25-44(52)39-19-9-7-10-20-39)43-24-17-21-40(35-43)41-31-32-46-45-26-14-16-29-53(45)60(55(46)36-41)42-22-11-8-12-23-42/h7-32,35-38H,33-34H2,1-6H3
InChIKeyOSGPSWHGPDGNIJ-UHFFFAOYSA-N
XLogP16.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.08
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
CID 170137615
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304314
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine
CID 139567813
3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168790192
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine
CID 170277086
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270

Frequently Asked Questions

What is the IUPAC name of 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine?
The IUPAC name of 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine (CID 169029910) is 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine.
What is the SMILES notation for 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine?
The canonical SMILES for 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine is CC1(C)CCC(C)(C)c2cc3c(cc21)-c1c(N(c2cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c2)c2ccccc2-c2ccccc2)cccc1C3(C)C.
What is the InChIKey of 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine?
The InChIKey is OSGPSWHGPDGNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H52N2/c1-57(2)33-34-58(3,4)51-38-49-47(37-50(51)57)56-48(59(49,5)6)27-18-30-54(56)61(52-28-15-13-25-44(52)39-19-9-7-10-20-39)43-24-17-21-40(35-43)41-31-32-46-45-26-14-16-29-53(45)60(55(46)36-41)42-22-11-8-12-23-42/h7-32,35-38H,33-34H2,1-6H3.
What are the key properties of 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine?
6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine has a molecular weight of 789.08 g/mol, XLogP of 16.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine is sourced from PubChem (CID 169029910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).