11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine

C44H30N2 — CID 174307151

IUPAC11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c4c(N(c5ccccc5)c5ccccc5)cc5ccccc5c4n(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C44H30N2/c1-4-14-31(15-5-1)34-25-27-40-41(29-34)46(38-26-24-32-16-10-11-17-33(32)28-38)44-39-23-13-12-18-35(39)30-42(43(40)44)45(36-19-6-2-7-20-36)37-21-8-3-9-22-37/h1-30H
InChIKeyKHPQHCRKLLLJDZ-UHFFFAOYSA-N
MW586.74 g/mol
LogP12.23
Rot. Bonds5

About 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine

11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine (PubChem CID 174307151) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine.

Molecular Properties

Compound Name11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine
PubChem CID174307151
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc3c4c(N(c5ccccc5)c5ccccc5)cc5ccccc5c4n(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C44H30N2/c1-4-14-31(15-5-1)34-25-27-40-41(29-34)46(38-26-24-32-16-10-11-17-33(32)28-38)44-39-23-13-12-18-35(39)30-42(43(40)44)45(36-19-6-2-7-20-36)37-21-8-3-9-22-37/h1-30H
InChIKeyKHPQHCRKLLLJDZ-UHFFFAOYSA-N
XLogP12.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307062
N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174306801
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
8-naphthalen-2-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307587
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307064
3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
CID 87414645
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 145273364
9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307600
N-[4-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145273395
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335

Frequently Asked Questions

What is the IUPAC name of 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine?
The IUPAC name of 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine (CID 174307151) is 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine.
What is the SMILES notation for 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine?
The canonical SMILES for 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine is c1ccc(-c2ccc3c4c(N(c5ccccc5)c5ccccc5)cc5ccccc5c4n(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine?
The InChIKey is KHPQHCRKLLLJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-4-14-31(15-5-1)34-25-27-40-41(29-34)46(38-26-24-32-16-10-11-17-33(32)28-38)44-39-23-13-12-18-35(39)30-42(43(40)44)45(36-19-6-2-7-20-36)37-21-8-3-9-22-37/h1-30H.
What are the key properties of 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine?
11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine has a molecular weight of 586.74 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine is sourced from PubChem (CID 174307151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).