N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline

C46H32N2 — CID 168809034

IUPACN-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)cc3ccccc23)cc1
InChIInChI=1S/C46H32N2/c1-3-17-33(18-4-1)38-23-9-13-27-43(38)47(35-20-5-2-6-21-35)46-30-16-12-26-41(46)42-32-36(31-34-19-7-8-22-37(34)42)48-44-28-14-10-24-39(44)40-25-11-15-29-45(40)48/h1-32H
InChIKeyIJNXEDJCKWACFA-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.74
Rot. Bonds6

About N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline

N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline (PubChem CID 168809034) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound NameN-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
PubChem CID168809034
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC NameN-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)cc3ccccc23)cc1
InChIInChI=1S/C46H32N2/c1-3-17-33(18-4-1)38-23-9-13-27-43(38)47(35-20-5-2-6-21-35)46-30-16-12-26-41(46)42-32-36(31-34-19-7-8-22-37(34)42)48-44-28-14-10-24-39(44)40-25-11-15-29-45(40)48/h1-32H
InChIKeyIJNXEDJCKWACFA-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 168809283
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 168809228
4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 174310339
N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 144844280
3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 168809207
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502466
N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 171457249
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline?
The IUPAC name of N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline (CID 168809034) is N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline.
What is the SMILES notation for N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline?
The canonical SMILES for N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline is c1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)cc3ccccc23)cc1.
What is the InChIKey of N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline?
The InChIKey is IJNXEDJCKWACFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-3-17-33(18-4-1)38-23-9-13-27-43(38)47(35-20-5-2-6-21-35)46-30-16-12-26-41(46)42-32-36(31-34-19-7-8-22-37(34)42)48-44-28-14-10-24-39(44)40-25-11-15-29-45(40)48/h1-32H.
What are the key properties of N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline?
N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline has a molecular weight of 612.78 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 168809034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).