N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine

C52H36N2 — CID 58161399

IUPACN-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2ccc2c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C52H36N2/c1-5-18-39(19-6-1)50-48-36-35-46-44(28-16-29-47(46)52(48)54(42-25-11-4-12-26-42)51(50)40-20-7-2-8-21-40)38-31-33-43(34-32-38)53(41-23-9-3-10-24-41)49-30-15-22-37-17-13-14-27-45(37)49/h1-36H
InChIKeyASZMZPKLOVHOGS-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine

N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine (PubChem CID 58161399) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine
PubChem CID58161399
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2ccc2c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cccc23)cc1
InChIInChI=1S/C52H36N2/c1-5-18-39(19-6-1)50-48-36-35-46-44(28-16-29-47(46)52(48)54(42-25-11-4-12-26-42)51(50)40-20-7-2-8-21-40)38-31-33-43(34-32-38)53(41-23-9-3-10-24-41)49-30-15-22-37-17-13-14-27-45(37)49/h1-36H
InChIKeyASZMZPKLOVHOGS-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

9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700
N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 58161593
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58161729
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]benzene-1,4-diamine
CID 58161352
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 58161658
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 134396685
N-[4-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 123325519
9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 58161662

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine (CID 58161399) is N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine is c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3c2ccc2c(-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine?
The InChIKey is ASZMZPKLOVHOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-5-18-39(19-6-1)50-48-36-35-46-44(28-16-29-47(46)52(48)54(42-25-11-4-12-26-42)51(50)40-20-7-2-8-21-40)38-31-33-43(34-32-38)53(41-23-9-3-10-24-41)49-30-15-22-37-17-13-14-27-45(37)49/h1-36H.
What are the key properties of N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine?
N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine 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-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 58161399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).