2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole

C44H28N4 — CID 118011357

IUPAC2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cc3cc(-n4c(-c5ccccc5)nc5ccccc54)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C44H28N4/c1-3-15-29(16-4-1)43-45-36-23-11-13-25-38(36)47(43)40-27-31-28-41(33-20-8-10-22-35(33)42(31)34-21-9-7-19-32(34)40)48-39-26-14-12-24-37(39)46-44(48)30-17-5-2-6-18-30/h1-28H
InChIKeyZKXMQKKNYRSWOZ-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.16
Rot. Bonds4

About 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole

2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole (PubChem CID 118011357) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole
PubChem CID118011357
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cc3cc(-n4c(-c5ccccc5)nc5ccccc54)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C44H28N4/c1-3-15-29(16-4-1)43-45-36-23-11-13-25-38(36)47(43)40-27-31-28-41(33-20-8-10-22-35(33)42(31)34-21-9-7-19-32(34)40)48-39-26-14-12-24-37(39)46-44(48)30-17-5-2-6-18-30/h1-28H
InChIKeyZKXMQKKNYRSWOZ-UHFFFAOYSA-N
XLogP11.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 141480526
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 148932878
2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole
CID 147440620
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-2-phenylbenzimidazole
CID 167411818
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
1-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-2-phenylbenzimidazole
CID 167410373
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786
2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]benzimidazole
CID 155333469
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole
CID 134169891

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole?
The IUPAC name of 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole (CID 118011357) is 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole is c1ccc(-c2nc3ccccc3n2-c2cc3cc(-n4c(-c5ccccc5)nc5ccccc54)c4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole?
The InChIKey is ZKXMQKKNYRSWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-3-15-29(16-4-1)43-45-36-23-11-13-25-38(36)47(43)40-27-31-28-41(33-20-8-10-22-35(33)42(31)34-21-9-7-19-32(34)40)48-39-26-14-12-24-37(39)46-44(48)30-17-5-2-6-18-30/h1-28H.
What are the key properties of 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole?
2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole has a molecular weight of 612.74 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole is sourced from PubChem (CID 118011357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).