N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline

C46H34N2 — CID 167195062

IUPACN-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline
SMILESC1=Cc2c(c3cc4ccccc4cc3n2-c2ccccc2)C(c2cccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)c2)C1
InChIInChI=1S/C46H34N2/c1-4-15-33(16-5-1)34-19-12-25-40(29-34)47(38-21-6-2-7-22-38)41-26-13-20-37(30-41)42-27-14-28-44-46(42)43-31-35-17-10-11-18-36(35)32-45(43)48(44)39-23-8-3-9-24-39/h1-26,28-32,42H,27H2
InChIKeyLWWGPHFARRDEPF-UHFFFAOYSA-N
MW614.79 g/mol
LogP12.47
Rot. Bonds6

About N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline

N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline (PubChem CID 167195062) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline
PubChem CID167195062
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC NameN-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline
SMILESC1=Cc2c(c3cc4ccccc4cc3n2-c2ccccc2)C(c2cccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)c2)C1
InChIInChI=1S/C46H34N2/c1-4-15-33(16-5-1)34-19-12-25-40(29-34)47(38-21-6-2-7-22-38)41-26-13-20-37(30-41)42-27-14-28-44-46(42)43-31-35-17-10-11-18-36(35)32-45(43)48(44)39-23-8-3-9-24-39/h1-26,28-32,42H,27H2
InChIKeyLWWGPHFARRDEPF-UHFFFAOYSA-N
XLogP12.47
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 167195970
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 91287445
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659718
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline
CID 166659661
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline?
The IUPAC name of N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline (CID 167195062) is N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline is C1=Cc2c(c3cc4ccccc4cc3n2-c2ccccc2)C(c2cccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)c2)C1.
What is the InChIKey of N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline?
The InChIKey is LWWGPHFARRDEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-4-15-33(16-5-1)34-19-12-25-40(29-34)47(38-21-6-2-7-22-38)41-26-13-20-37(30-41)42-27-14-28-44-46(42)43-31-35-17-10-11-18-36(35)32-45(43)48(44)39-23-8-3-9-24-39/h1-26,28-32,42H,27H2.
What are the key properties of N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline?
N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline has a molecular weight of 614.79 g/mol, XLogP of 12.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-1-yl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 167195062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).