N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline

C52H36N2 — CID 169016116

IUPACN,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-16-37(17-5-1)44-24-10-12-28-49(44)53(41-20-6-2-7-21-41)43-33-30-38(31-34-43)45-26-14-18-39-19-15-27-46(52(39)45)40-32-35-51-48(36-40)47-25-11-13-29-50(47)54(51)42-22-8-3-9-23-42/h1-36H
InChIKeyWBUWZLIEKQKIKB-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline

N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline (PubChem CID 169016116) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline.

Molecular Properties

Compound NameN,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
PubChem CID169016116
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-16-37(17-5-1)44-24-10-12-28-49(44)53(41-20-6-2-7-21-41)43-33-30-38(31-34-43)45-26-14-18-39-19-15-27-46(52(39)45)40-32-35-51-48(36-40)47-25-11-13-29-50(47)54(51)42-22-8-3-9-23-42/h1-36H
InChIKeyWBUWZLIEKQKIKB-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-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 143813910
N-(3-phenanthren-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303126
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
N-(4-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303107
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline?
The IUPAC name of N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline (CID 169016116) is N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline.
What is the SMILES notation for N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline?
The canonical SMILES for N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline?
The InChIKey is WBUWZLIEKQKIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-16-37(17-5-1)44-24-10-12-28-49(44)53(41-20-6-2-7-21-41)43-33-30-38(31-34-43)45-26-14-18-39-19-15-27-46(52(39)45)40-32-35-51-48(36-40)47-25-11-13-29-50(47)54(51)42-22-8-3-9-23-42/h1-36H.
What are the key properties of N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline?
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]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,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline is sourced from PubChem (CID 169016116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).