N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine

C44H33N5 — CID 123506099

IUPACN-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ncc(-c4ccc(C5Nc6ccccc6N5c5ccccc5)cc4)[nH]3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C44H33N5/c1-3-14-35(15-4-1)48(41-21-11-13-31-12-7-8-18-38(31)41)37-28-26-33(27-29-37)43-45-30-40(46-43)32-22-24-34(25-23-32)44-47-39-19-9-10-20-42(39)49(44)36-16-5-2-6-17-36/h1-30,44,47H,(H,45,46)
InChIKeyISGJERHHIYYIQK-UHFFFAOYSA-N
MW631.78 g/mol
LogP11.63
Rot. Bonds7

About N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine

N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine (PubChem CID 123506099) has the molecular formula C44H33N5 and a molecular weight of 631.78 g/mol. Its IUPAC name is N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine
PubChem CID123506099
Molecular FormulaC44H33N5
Molecular Weight631.78 g/mol
Exact Mass631.27
IUPAC NameN-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3ncc(-c4ccc(C5Nc6ccccc6N5c5ccccc5)cc4)[nH]3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C44H33N5/c1-3-14-35(15-4-1)48(41-21-11-13-31-12-7-8-18-38(31)41)37-28-26-33(27-29-37)43-45-30-40(46-43)32-22-24-34(25-23-32)44-47-39-19-9-10-20-42(39)49(44)36-16-5-2-6-17-36/h1-30,44,47H,(H,45,46)
InChIKeyISGJERHHIYYIQK-UHFFFAOYSA-N
XLogP11.63
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.78
LogP ≤ 511.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine
CID 123152798
N,N-diphenyl-4-[7-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)benzo[k]phenanthridin-6-yl]aniline
CID 171054809
carbanide;copper;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58224687
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine (CID 123506099) is N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine is c1ccc(N(c2ccc(-c3ncc(-c4ccc(C5Nc6ccccc6N5c5ccccc5)cc4)[nH]3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine?
The InChIKey is ISGJERHHIYYIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N5/c1-3-14-35(15-4-1)48(41-21-11-13-31-12-7-8-18-38(31)41)37-28-26-33(27-29-37)43-45-30-40(46-43)32-22-24-34(25-23-32)44-47-39-19-9-10-20-42(39)49(44)36-16-5-2-6-17-36/h1-30,44,47H,(H,45,46).
What are the key properties of N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine?
N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine has a molecular weight of 631.78 g/mol, XLogP of 11.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[5-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1H-imidazol-2-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 123506099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).