4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline

C46H34N2 — CID 170244277

IUPAC4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline
SMILESC1=c2c(n(-c3ccccc3)c3cc(-c4cc(-c5cccc6ccccc56)ccc4N(c4ccccc4)c4ccccc4)ccc23)=CCC1
InChIInChI=1S/C46H34N2/c1-4-17-36(18-5-1)47(37-19-6-2-7-20-37)45-30-28-34(40-25-14-16-33-15-10-11-23-39(33)40)31-43(45)35-27-29-42-41-24-12-13-26-44(41)48(46(42)32-35)38-21-8-3-9-22-38/h1-11,14-32H,12-13H2
InChIKeyIZQUCAKFCHGKSM-UHFFFAOYSA-N
MW614.79 g/mol
LogP10.94
Rot. Bonds6

About 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline

4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline (PubChem CID 170244277) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline.

Molecular Properties

Compound Name4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline
PubChem CID170244277
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC Name4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline
SMILESC1=c2c(n(-c3ccccc3)c3cc(-c4cc(-c5cccc6ccccc56)ccc4N(c4ccccc4)c4ccccc4)ccc23)=CCC1
InChIInChI=1S/C46H34N2/c1-4-17-36(18-5-1)47(37-19-6-2-7-20-37)45-30-28-34(40-25-14-16-33-15-10-11-23-39(33)40)31-43(45)35-27-29-42-41-24-12-13-26-44(41)48(46(42)32-35)38-21-8-3-9-22-38/h1-11,14-32H,12-13H2
InChIKeyIZQUCAKFCHGKSM-UHFFFAOYSA-N
XLogP10.94
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59728542
4-(2-carbazol-9-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 174310339
9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307600
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 170141734
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196149
2-phenyl-N-[3-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847702
N-(3-naphthalen-1-ylphenyl)-3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168789220
N-(3-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303122

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline?
The IUPAC name of 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline (CID 170244277) is 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline.
What is the SMILES notation for 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline?
The canonical SMILES for 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline is C1=c2c(n(-c3ccccc3)c3cc(-c4cc(-c5cccc6ccccc56)ccc4N(c4ccccc4)c4ccccc4)ccc23)=CCC1.
What is the InChIKey of 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline?
The InChIKey is IZQUCAKFCHGKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-4-17-36(18-5-1)47(37-19-6-2-7-20-37)45-30-28-34(40-25-14-16-33-15-10-11-23-39(33)40)31-43(45)35-27-29-42-41-24-12-13-26-44(41)48(46(42)32-35)38-21-8-3-9-22-38/h1-11,14-32H,12-13H2.
What are the key properties of 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline?
4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline has a molecular weight of 614.79 g/mol, XLogP of 10.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N,N-diphenyl-2-(9-phenyl-6,7-dihydrocarbazol-2-yl)aniline is sourced from PubChem (CID 170244277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).