2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole

C31H20N2 — CID 58526346

IUPAC2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc3ccccc32)cc1
InChIInChI=1S/C31H20N2/c1-2-9-25(10-3-1)33-29-13-7-6-12-28(29)32-31(33)24-19-16-22-15-18-23-17-14-21-8-4-5-11-26(21)30(23)27(22)20-24/h1-20H
InChIKeyMULKOGCGJVSTAR-UHFFFAOYSA-N
MW420.52 g/mol
LogP8.15
Rot. Bonds2

About 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole

2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole (PubChem CID 58526346) has the molecular formula C31H20N2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
PubChem CID58526346
Molecular FormulaC31H20N2
Molecular Weight420.52 g/mol
Exact Mass420.16
IUPAC Name2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc3ccccc32)cc1
InChIInChI=1S/C31H20N2/c1-2-9-25(10-3-1)33-29-13-7-6-12-28(29)32-31(33)24-19-16-22-15-18-23-17-14-21-8-4-5-11-26(21)30(23)27(22)20-24/h1-20H
InChIKeyMULKOGCGJVSTAR-UHFFFAOYSA-N
XLogP8.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole
CID 88544794
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
2-[4-(12-phenanthren-3-ylbenzo[a]anthracen-7-yl)phenyl]-1-phenylbenzimidazole
CID 59629559
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
2-[4-[4-(16-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167411712
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 71229737
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-[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

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole?
The IUPAC name of 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole (CID 58526346) is 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole.
What is the SMILES notation for 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole?
The canonical SMILES for 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc3ccccc32)cc1.
What is the InChIKey of 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole?
The InChIKey is MULKOGCGJVSTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2/c1-2-9-25(10-3-1)33-29-13-7-6-12-28(29)32-31(33)24-19-16-22-15-18-23-17-14-21-8-4-5-11-26(21)30(23)27(22)20-24/h1-20H.
What are the key properties of 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole?
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole has a molecular weight of 420.52 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole is sourced from PubChem (CID 58526346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).