N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine

C51H35N3 — CID 122425024

IUPACN-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C51H35N3/c1-3-12-36(13-4-1)37-24-28-43(29-25-37)53(46-32-33-48-42(35-46)23-22-39-14-7-8-19-47(39)48)44-30-26-38(27-31-44)41-17-11-18-45(34-41)54-50-21-10-9-20-49(50)52-51(54)40-15-5-2-6-16-40/h1-35H
InChIKeyVESPKDWXFHBOOW-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.80
Rot. Bonds7

About N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine

N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine (PubChem CID 122425024) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
PubChem CID122425024
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC NameN-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1
InChIInChI=1S/C51H35N3/c1-3-12-36(13-4-1)37-24-28-43(29-25-37)53(46-32-33-48-42(35-46)23-22-39-14-7-8-19-47(39)48)44-30-26-38(27-31-44)41-17-11-18-45(34-41)54-50-21-10-9-20-49(50)52-51(54)40-15-5-2-6-16-40/h1-35H
InChIKeyVESPKDWXFHBOOW-UHFFFAOYSA-N
XLogP13.80
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122424952
N-[3-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 126683185
N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
CID 174262436
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
N-dibenzofuran-3-yl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N,N-bis[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161463384
9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
N,N-diphenyl-3-[10-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-6-yl]aniline
CID 171054618
2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]-1-phenylbenzimidazole
CID 167410699
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine (CID 122425024) is N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)cc3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine?
The InChIKey is VESPKDWXFHBOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-3-12-36(13-4-1)37-24-28-43(29-25-37)53(46-32-33-48-42(35-46)23-22-39-14-7-8-19-47(39)48)44-30-26-38(27-31-44)41-17-11-18-45(34-41)54-50-21-10-9-20-49(50)52-51(54)40-15-5-2-6-16-40/h1-35H.
What are the key properties of N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine?
N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine has a molecular weight of 689.86 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 122425024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).