N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine

C49H33N3 — CID 163826736

IUPACN-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-n2c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5ccccc45)cc3)nc3ccc4ccccc4c32)cc1
InChIInChI=1S/C49H33N3/c1-2-16-41(17-3-1)52-48-45-19-9-7-13-37(45)27-32-46(48)50-49(52)38-25-30-43(31-26-38)51(47-20-10-15-36-12-6-8-18-44(36)47)42-28-23-35(24-29-42)40-22-21-34-11-4-5-14-39(34)33-40/h1-33H
InChIKeyPOSJGVHTGOJLOT-UHFFFAOYSA-N
MW663.82 g/mol
LogP13.29
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine

N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine (PubChem CID 163826736) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine
PubChem CID163826736
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine
SMILESc1ccc(-n2c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5ccccc45)cc3)nc3ccc4ccccc4c32)cc1
InChIInChI=1S/C49H33N3/c1-2-16-41(17-3-1)52-48-45-19-9-7-13-37(45)27-32-46(48)50-49(52)38-25-30-43(31-26-38)51(47-20-10-15-36-12-6-8-18-44(36)47)42-28-23-35(24-29-42)40-22-21-34-11-4-5-14-39(34)33-40/h1-33H
InChIKeyPOSJGVHTGOJLOT-UHFFFAOYSA-N
XLogP13.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine
CID 139571824
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122424952
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168781710
N-(3,5-diphenylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphthalen-1-amine
CID 168781568
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
CID 163479113
N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 122424896
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 168781459
N-(4-naphthalen-2-ylphenyl)-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-7-amine
CID 177100103
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine (CID 163826736) is N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine is c1ccc(-n2c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5ccccc45)cc3)nc3ccc4ccccc4c32)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is POSJGVHTGOJLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-2-16-41(17-3-1)52-48-45-19-9-7-13-37(45)27-32-46(48)50-49(52)38-25-30-43(31-26-38)51(47-20-10-15-36-12-6-8-18-44(36)47)42-28-23-35(24-29-42)40-22-21-34-11-4-5-14-39(34)33-40/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine?
N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 663.82 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 163826736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).