N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C52H36N2 — CID 170297416

IUPACN-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c23)cc1
InChIInChI=1S/C52H36N2/c1-4-17-37(18-5-1)44-29-15-19-38-20-16-30-47(52(38)44)45-27-10-12-31-49(45)53(41-22-6-2-7-23-41)43-26-14-21-39(35-43)40-33-34-51-48(36-40)46-28-11-13-32-50(46)54(51)42-24-8-3-9-25-42/h1-36H
InChIKeyBPVJPFMJYDLUJQ-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170297416) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170297416
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c23)cc1
InChIInChI=1S/C52H36N2/c1-4-17-37(18-5-1)44-29-15-19-38-20-16-30-47(52(38)44)45-27-10-12-31-49(45)53(41-22-6-2-7-23-41)43-26-14-21-39(35-43)40-33-34-51-48(36-40)46-28-11-13-32-50(46)54(51)42-24-8-3-9-25-42/h1-36H
InChIKeyBPVJPFMJYDLUJQ-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298779
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-(4-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303107
3,5-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298338
N-(3-phenanthren-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303126
N-(3-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303122
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304316
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298069

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170297416) is N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c23)cc1.
What is the InChIKey of N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is BPVJPFMJYDLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-17-37(18-5-1)44-29-15-19-38-20-16-30-47(52(38)44)45-27-10-12-31-49(45)53(41-22-6-2-7-23-41)43-26-14-21-39(35-43)40-33-34-51-48(36-40)46-28-11-13-32-50(46)54(51)42-24-8-3-9-25-42/h1-36H.
What are the key properties of N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 688.87 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170297416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).