2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline

C52H38N2 — CID 167195028

IUPAC2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=Cc2c(c3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)c4)c4ccccc4cc3n2-c2ccccc2)CC1
InChIInChI=1S/C52H38N2/c1-4-17-37(18-5-1)38-31-33-43(34-32-38)53(48-29-14-12-26-45(48)39-19-6-2-7-20-39)44-25-16-22-41(35-44)51-46-27-11-10-21-40(46)36-50-52(51)47-28-13-15-30-49(47)54(50)42-23-8-3-9-24-42/h1-12,14-27,29-36H,13,28H2
InChIKeyXTFBRTUJWRPRPN-UHFFFAOYSA-N
MW690.89 g/mol
LogP14.21
Rot. Bonds7

About 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline

2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 167195028) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID167195028
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=Cc2c(c3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)c4)c4ccccc4cc3n2-c2ccccc2)CC1
InChIInChI=1S/C52H38N2/c1-4-17-37(18-5-1)38-31-33-43(34-32-38)53(48-29-14-12-26-45(48)39-19-6-2-7-20-39)44-25-16-22-41(35-44)51-46-27-11-10-21-40(46)36-50-52(51)47-28-13-15-30-49(47)54(50)42-23-8-3-9-24-42/h1-12,14-27,29-36H,13,28H2
InChIKeyXTFBRTUJWRPRPN-UHFFFAOYSA-N
XLogP14.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 167194900
N-(4-phenanthren-9-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]naphthalen-1-amine
CID 167195888
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167195423
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 167194690
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168790601
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 167195028) is 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline is C1=Cc2c(c3c(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)c4)c4ccccc4cc3n2-c2ccccc2)CC1.
What is the InChIKey of 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is XTFBRTUJWRPRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-4-17-37(18-5-1)38-31-33-43(34-32-38)53(48-29-14-12-26-45(48)39-19-6-2-7-20-39)44-25-16-22-41(35-44)51-46-27-11-10-21-40(46)36-50-52(51)47-28-13-15-30-49(47)54(50)42-23-8-3-9-24-42/h1-12,14-27,29-36H,13,28H2.
What are the key properties of 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline?
2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 690.89 g/mol, XLogP of 14.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(5-phenyl-1,2-dihydrobenzo[b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167195028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).