N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine

C59H40N2 — CID 167036355

IUPACN,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
SMILESc1ccc(-c2ccc(C3(c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C59H40N2/c1-5-17-41(18-6-1)42-29-31-46(32-30-42)59(45-21-7-2-8-22-45)55-38-44-20-14-13-19-43(44)37-53(55)51-35-33-50(40-56(51)59)60(47-23-9-3-10-24-47)49-34-36-58-54(39-49)52-27-15-16-28-57(52)61(58)48-25-11-4-12-26-48/h1-40H
InChIKeyVBBVPHHBTWBTEX-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.44
Rot. Bonds7

About N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine

N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine (PubChem CID 167036355) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
PubChem CID167036355
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC NameN,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine
SMILESc1ccc(-c2ccc(C3(c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C59H40N2/c1-5-17-41(18-6-1)42-29-31-46(32-30-42)59(45-21-7-2-8-22-45)55-38-44-20-14-13-19-43(44)37-53(55)51-35-33-50(40-56(51)59)60(47-23-9-3-10-24-47)49-34-36-58-54(39-49)52-27-15-16-28-57(52)61(58)48-25-11-4-12-26-48/h1-40H
InChIKeyVBBVPHHBTWBTEX-UHFFFAOYSA-N
XLogP15.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 166036387
N,9-diphenyl-N-[11-phenyl-11-(3-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-2-amine
CID 167036284
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381439
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 71175459
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 161161453
N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 146576508
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158043752

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine (CID 167036355) is N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine is c1ccc(-c2ccc(C3(c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4cc5ccccc5cc43)cc2)cc1.
What is the InChIKey of N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine?
The InChIKey is VBBVPHHBTWBTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-5-17-41(18-6-1)42-29-31-46(32-30-42)59(45-21-7-2-8-22-45)55-38-44-20-14-13-19-43(44)37-53(55)51-35-33-50(40-56(51)59)60(47-23-9-3-10-24-47)49-34-36-58-54(39-49)52-27-15-16-28-57(52)61(58)48-25-11-4-12-26-48/h1-40H.
What are the key properties of N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine?
N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine has a molecular weight of 776.98 g/mol, XLogP of 15.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[11-phenyl-11-(4-phenylphenyl)benzo[b]fluoren-2-yl]carbazol-3-amine is sourced from PubChem (CID 167036355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).