N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine

C50H36N2 — CID 175613280

IUPACN-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine
SMILESC1=C(c2ccccc2)C(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)c2ccc4ccccc4c2n3-c2ccccc2)=CCC1
InChIInChI=1S/C50H36N2/c1-3-14-36(15-4-1)44-22-11-12-25-48(44)51(40-29-26-38(27-30-40)43-24-13-18-35-16-7-9-21-42(35)43)41-31-33-49-47(34-41)46-32-28-37-17-8-10-23-45(37)50(46)52(49)39-19-5-2-6-20-39/h1-10,13-34H,11-12H2
InChIKeyDXZCBLWQAKTMHJ-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.66
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine

N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine (PubChem CID 175613280) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine
PubChem CID175613280
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC NameN-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine
SMILESC1=C(c2ccccc2)C(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)c2ccc4ccccc4c2n3-c2ccccc2)=CCC1
InChIInChI=1S/C50H36N2/c1-3-14-36(15-4-1)44-22-11-12-25-48(44)51(40-29-26-38(27-30-40)43-24-13-18-35-16-7-9-21-42(35)43)41-31-33-49-47(34-41)46-32-28-37-17-8-10-23-45(37)50(46)52(49)39-19-5-2-6-20-39/h1-10,13-34H,11-12H2
InChIKeyDXZCBLWQAKTMHJ-UHFFFAOYSA-N
XLogP13.66
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168782065
N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(6-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)aniline
CID 167040741
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine;N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine;N,N,11-triphenylbenzo[a]carbazol-10-amine
CID 164979626
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
7-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170363156
N-(9,9-dimethylfluoren-3-yl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 166847480
N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N-(4-phenylphenyl)aniline
CID 154589062
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
4-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168782134
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine (CID 175613280) is N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine is C1=C(c2ccccc2)C(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)c2ccc4ccccc4c2n3-c2ccccc2)=CCC1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine?
The InChIKey is DXZCBLWQAKTMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-3-14-36(15-4-1)44-22-11-12-25-48(44)51(40-29-26-38(27-30-40)43-24-13-18-35-16-7-9-21-42(35)43)41-31-33-49-47(34-41)46-32-28-37-17-8-10-23-45(37)50(46)52(49)39-19-5-2-6-20-39/h1-10,13-34H,11-12H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine?
N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine has a molecular weight of 664.85 g/mol, XLogP of 13.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(6-phenylcyclohexa-1,5-dien-1-yl)benzo[a]carbazol-8-amine is sourced from PubChem (CID 175613280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).