N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine

C59H40N2 — CID 174306994

IUPACN-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2cccc3c4c(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc5ccccc5c4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C59H40N2/c1-6-22-41(23-7-1)47-35-20-36-50-56-54(40-42-24-16-17-33-48(42)58(56)61(57(47)50)46-31-14-5-15-32-46)60(45-29-12-4-13-30-45)53-39-21-38-52-55(53)49-34-18-19-37-51(49)59(52,43-25-8-2-9-26-43)44-27-10-3-11-28-44/h1-40H
InChIKeyCEZVWGDEHMMOHS-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.44
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine

N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine (PubChem CID 174306994) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine
PubChem CID174306994
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2cccc3c4c(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc5ccccc5c4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C59H40N2/c1-6-22-41(23-7-1)47-35-20-36-50-56-54(40-42-24-16-17-33-48(42)58(56)61(57(47)50)46-31-14-5-15-32-46)60(45-29-12-4-13-30-45)53-39-21-38-52-55(53)49-34-18-19-37-51(49)59(52,43-25-8-2-9-26-43)44-27-10-3-11-28-44/h1-40H
InChIKeyCEZVWGDEHMMOHS-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-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine
CID 174306819
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
N-(9,9-diphenylfluoren-4-yl)-11-phenanthren-9-yl-N,6-diphenylbenzo[a]carbazol-8-amine
CID 174306393
2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304374
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019810
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-(3,5-diphenylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-4-amine
CID 168781545

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine (CID 174306994) is N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine is c1ccc(-c2cccc3c4c(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc5ccccc5c4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine?
The InChIKey is CEZVWGDEHMMOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-6-22-41(23-7-1)47-35-20-36-50-56-54(40-42-24-16-17-33-48(42)58(56)61(57(47)50)46-31-14-5-15-32-46)60(45-29-12-4-13-30-45)53-39-21-38-52-55(53)49-34-18-19-37-51(49)59(52,43-25-8-2-9-26-43)44-27-10-3-11-28-44/h1-40H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine?
N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-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-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine is sourced from PubChem (CID 174306994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).