3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline

C62H42N2 — CID 166660501

IUPAC3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2cc(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C62H42N2/c1-3-16-43(17-4-1)49-41-59(62-58-28-11-12-31-60(58)64(61(62)42-49)50-23-5-2-6-24-50)48-22-13-25-53(40-48)63(51-36-32-46(33-37-51)56-29-14-20-44-18-7-9-26-54(44)56)52-38-34-47(35-39-52)57-30-15-21-45-19-8-10-27-55(45)57/h1-42H
InChIKeyCYHNUFNHWOBTDH-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline

3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline (PubChem CID 166660501) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
PubChem CID166660501
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC Name3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2cc(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C62H42N2/c1-3-16-43(17-4-1)49-41-59(62-58-28-11-12-31-60(58)64(61(62)42-49)50-23-5-2-6-24-50)48-22-13-25-53(40-48)63(51-36-32-46(33-37-51)56-29-14-20-44-18-7-9-26-54(44)56)52-38-34-47(35-39-52)57-30-15-21-45-19-8-10-27-55(45)57/h1-42H
InChIKeyCYHNUFNHWOBTDH-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline
CID 166659667
3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
CID 176878077
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660632
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 167195087
N-[3-(2,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 167195348
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982

Frequently Asked Questions

What is the IUPAC name of 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline (CID 166660501) is 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline is c1ccc(-c2cc(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)c3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is CYHNUFNHWOBTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-3-16-43(17-4-1)49-41-59(62-58-28-11-12-31-60(58)64(61(62)42-49)50-23-5-2-6-24-50)48-22-13-25-53(40-48)63(51-36-32-46(33-37-51)56-29-14-20-44-18-7-9-26-54(44)56)52-38-34-47(35-39-52)57-30-15-21-45-19-8-10-27-55(45)57/h1-42H.
What are the key properties of 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline?
3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 166660501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).