N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine

C52H34N2 — CID 174306801

IUPACN,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c4c(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc5ccccc5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H34N2/c1-4-16-35(17-5-1)36-28-30-47-49(32-36)54(39-21-8-3-9-22-39)52-41-23-11-10-18-37(41)33-50(51(47)52)53(38-19-6-2-7-20-38)40-29-31-46-44-26-13-12-24-42(44)43-25-14-15-27-45(43)48(46)34-40/h1-34H
InChIKeySAZNFSPAWOILIR-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.53
Rot. Bonds5

About N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine

N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine (PubChem CID 174306801) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine.

Molecular Properties

Compound NameN,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
PubChem CID174306801
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC NameN,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c4c(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc5ccccc5c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H34N2/c1-4-16-35(17-5-1)36-28-30-47-49(32-36)54(39-21-8-3-9-22-39)52-41-23-11-10-18-37(41)33-50(51(47)52)53(38-19-6-2-7-20-38)40-29-31-46-44-26-13-12-24-42(44)43-25-14-15-27-45(43)48(46)34-40/h1-34H
InChIKeySAZNFSPAWOILIR-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine with MolForge

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Related Compounds

11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307732
N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307062
N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307494
9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307600
N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307742
11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine
CID 174307151
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307064
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
8-naphthalen-2-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307587
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839
N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine
CID 174306819
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863

Frequently Asked Questions

What is the IUPAC name of N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The IUPAC name of N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine (CID 174306801) is N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine.
What is the SMILES notation for N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The canonical SMILES for N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine is c1ccc(-c2ccc3c4c(N(c5ccccc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc5ccccc5c4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The InChIKey is SAZNFSPAWOILIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-4-16-35(17-5-1)36-28-30-47-49(32-36)54(39-21-8-3-9-22-39)52-41-23-11-10-18-37(41)33-50(51(47)52)53(38-19-6-2-7-20-38)40-29-31-46-44-26-13-12-24-42(44)43-25-14-15-27-45(43)48(46)34-40/h1-34H.
What are the key properties of N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine?
N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine has a molecular weight of 686.86 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine is sourced from PubChem (CID 174306801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).