N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine

C45H31N5 — CID 90198233

IUPACN-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cnc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cn3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C45H31N5/c1-3-13-37(14-4-1)49(40-28-23-32-11-7-8-12-36(32)29-40)39-26-24-34(25-27-39)43-31-46-42(30-47-43)33-19-21-35(22-20-33)45-48-41-17-9-10-18-44(41)50(45)38-15-5-2-6-16-38/h1-31H
InChIKeyLGBVPSVPGUSWPY-UHFFFAOYSA-N
MW641.78 g/mol
LogP11.44
Rot. Bonds7

About N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine

N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine (PubChem CID 90198233) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine
PubChem CID90198233
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC NameN-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3cnc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cn3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C45H31N5/c1-3-13-37(14-4-1)49(40-28-23-32-11-7-8-12-36(32)29-40)39-26-24-34(25-27-39)43-31-46-42(30-47-43)33-19-21-35(22-20-33)45-48-41-17-9-10-18-44(41)50(45)38-15-5-2-6-16-38/h1-31H
InChIKeyLGBVPSVPGUSWPY-UHFFFAOYSA-N
XLogP11.44
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,3-N,10-N,10-N-tetraphenyl-15-[4-(1-phenylbenzimidazol-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125585
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine
CID 90198454
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
CID 163479113
N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122425024
N,N-diphenyl-4-[5-[4-(1-phenylbenzimidazol-2-yl)cyclohex-4-en-2-yn-1-yl]pyrazin-2-yl]aniline
CID 123726545
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]fluorene-2,7-diamine
CID 155473648
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]-3-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]aniline
CID 58963329
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine (CID 90198233) is N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine is c1ccc(N(c2ccc(-c3cnc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cn3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine?
The InChIKey is LGBVPSVPGUSWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-3-13-37(14-4-1)49(40-28-23-32-11-7-8-12-36(32)29-40)39-26-24-34(25-27-39)43-31-46-42(30-47-43)33-19-21-35(22-20-33)45-48-41-17-9-10-18-44(41)50(45)38-15-5-2-6-16-38/h1-31H.
What are the key properties of N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine?
N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine has a molecular weight of 641.78 g/mol, XLogP of 11.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 90198233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).