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

C59H40N2 — CID 174306819

IUPACN-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c4c(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc5ccccc5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C59H40N2/c1-6-21-41(22-7-1)42-37-38-50-54(39-42)61(47-30-14-5-15-31-47)58-48-32-17-16-23-43(48)40-55(57(50)58)60(46-28-12-4-13-29-46)53-36-20-35-52-56(53)49-33-18-19-34-51(49)59(52,44-24-8-2-9-25-44)45-26-10-3-11-27-45/h1-40H
InChIKeyVNEVWKDBXHAVJV-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.44
Rot. Bonds7

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

N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine (PubChem CID 174306819) 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,9,11-triphenylbenzo[a]carbazol-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine
PubChem CID174306819
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c4c(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc5ccccc5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C59H40N2/c1-6-21-41(22-7-1)42-37-38-50-54(39-42)61(47-30-14-5-15-31-47)58-48-32-17-16-23-43(48)40-55(57(50)58)60(46-28-12-4-13-29-46)53-36-20-35-52-56(53)49-33-18-19-34-51(49)59(52,44-24-8-2-9-25-44)45-26-10-3-11-27-45/h1-40H
InChIKeyVNEVWKDBXHAVJV-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

9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
N-(9,9-diphenylfluoren-4-yl)-N,10,11-triphenylbenzo[a]carbazol-6-amine
CID 174306994
N-(3,5-diphenylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-4-amine
CID 168781545
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 168781540
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304825
N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307062
N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168781886
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307494
11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307732
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine (CID 174306819) is N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine is c1ccc(-c2ccc3c4c(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc5ccccc5c4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine?
The InChIKey is VNEVWKDBXHAVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-6-21-41(22-7-1)42-37-38-50-54(39-42)61(47-30-14-5-15-31-47)58-48-32-17-16-23-43(48)40-55(57(50)58)60(46-28-12-4-13-29-46)53-36-20-35-52-56(53)49-33-18-19-34-51(49)59(52,44-24-8-2-9-25-44)45-26-10-3-11-27-45/h1-40H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine?
N-(9,9-diphenylfluoren-4-yl)-N,9,11-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,9,11-triphenylbenzo[a]carbazol-6-amine is sourced from PubChem (CID 174306819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).