1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole

C46H30N4 — CID 129257071

IUPAC1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)c5ccccc45)c4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C46H30N4/c1-3-15-31(16-4-1)49-43-25-13-11-23-41(43)47-45(49)39-29-27-37(33-19-7-9-21-35(33)39)38-28-30-40(36-22-10-8-20-34(36)38)46-48-42-24-12-14-26-44(42)50(46)32-17-5-2-6-18-32/h1-30H
InChIKeyBFJGGZYVJIVZBY-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

About 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole

1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole (PubChem CID 129257071) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
PubChem CID129257071
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)c5ccccc45)c4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C46H30N4/c1-3-15-31(16-4-1)49-43-25-13-11-23-41(43)47-45(49)39-29-27-37(33-19-7-9-21-35(33)39)38-28-30-40(36-22-10-8-20-34(36)38)46-48-42-24-12-14-26-44(42)50(46)32-17-5-2-6-18-32/h1-30H
InChIKeyBFJGGZYVJIVZBY-UHFFFAOYSA-N
XLogP11.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol
CID 136502698
2-[4-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)naphthalen-1-yl]-1-phenylbenzimidazole
CID 167412753
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol
CID 136502697
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865
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)naphthalen-1-yl]-1-phenylbenzimidazole
CID 167411559
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 170236367
1-phenyl-2-[3-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]benzimidazole
CID 142488113

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole (CID 129257071) is 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole is c1ccc(-n2c(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)c5ccccc45)c4ccccc34)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole?
The InChIKey is BFJGGZYVJIVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-3-15-31(16-4-1)49-43-25-13-11-23-41(43)47-45(49)39-29-27-37(33-19-7-9-21-35(33)39)38-28-30-40(36-22-10-8-20-34(36)38)46-48-42-24-12-14-26-44(42)50(46)32-17-5-2-6-18-32/h1-30H.
What are the key properties of 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole?
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole has a molecular weight of 638.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole is sourced from PubChem (CID 129257071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).