5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine

C50H34N2 — CID 167038449

IUPAC5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c(-n5c6ccccc6c6ccc7ccccc7c65)cccc34)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-13-35(14-4-1)37-25-30-40(31-26-37)51(41-32-27-38(28-33-41)36-15-5-2-6-16-36)47-23-11-21-44-43(47)20-12-24-49(44)52-48-22-10-9-19-45(48)46-34-29-39-17-7-8-18-42(39)50(46)52/h1-34H
InChIKeyNRDNJWOHMOKYCR-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine

5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine (PubChem CID 167038449) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
PubChem CID167038449
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c(-n5c6ccccc6c6ccc7ccccc7c65)cccc34)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-13-35(14-4-1)37-25-30-40(31-26-37)51(41-32-27-38(28-33-41)36-15-5-2-6-16-36)47-23-11-21-44-43(47)20-12-24-49(44)52-48-22-10-9-19-45(48)46-34-29-39-17-7-8-18-42(39)50(46)52/h1-34H
InChIKeyNRDNJWOHMOKYCR-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
2-[(2-benzo[a]carbazol-11-ylphenyl)methyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170926582
4-benzo[c]carbazol-7-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038157
N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 168809019
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-(3,5-diphenylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphthalen-1-amine
CID 168781568
5-(1-phenylbenzo[c]carbazol-7-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 177100828
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-4-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-5-amine
CID 159554743
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
N-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118152627

Frequently Asked Questions

What is the IUPAC name of 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine (CID 167038449) is 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c(-n5c6ccccc6c6ccc7ccccc7c65)cccc34)cc2)cc1.
What is the InChIKey of 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is NRDNJWOHMOKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-13-35(14-4-1)37-25-30-40(31-26-37)51(41-32-27-38(28-33-41)36-15-5-2-6-16-36)47-23-11-21-44-43(47)20-12-24-49(44)52-48-22-10-9-19-45(48)46-34-29-39-17-7-8-18-42(39)50(46)52/h1-34H.
What are the key properties of 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine?
5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzo[a]carbazol-11-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167038449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).