N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline

C52H36N2 — CID 118103122

IUPACN-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H36N2/c1-3-16-37(17-4-1)45-25-11-13-27-49(45)53(41-20-5-2-6-21-41)42-33-30-39(31-34-42)43-22-9-10-23-44(43)40-32-35-52-48(36-40)47-26-12-14-28-51(47)54(52)50-29-15-19-38-18-7-8-24-46(38)50/h1-36H
InChIKeyUOKSIDMEYQYCRX-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline

N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline (PubChem CID 118103122) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound NameN-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
PubChem CID118103122
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H36N2/c1-3-16-37(17-4-1)45-25-11-13-27-49(45)53(41-20-5-2-6-21-41)42-33-30-39(31-34-42)43-22-9-10-23-44(43)40-32-35-52-48(36-40)47-26-12-14-28-51(47)54(52)50-29-15-19-38-18-7-8-24-46(38)50/h1-36H
InChIKeyUOKSIDMEYQYCRX-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-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103040
N-[3-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 118103056
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322263
4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 174310339
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167322579
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline?
The IUPAC name of N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline (CID 118103122) is N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline.
What is the SMILES notation for N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline?
The canonical SMILES for N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline?
The InChIKey is UOKSIDMEYQYCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-16-37(17-4-1)45-25-11-13-27-49(45)53(41-20-5-2-6-21-41)42-33-30-39(31-34-42)43-22-9-10-23-44(43)40-32-35-52-48(36-40)47-26-12-14-28-51(47)54(52)50-29-15-19-38-18-7-8-24-46(38)50/h1-36H.
What are the key properties of N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline?
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline 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-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 118103122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).