6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine

C39H24N4 — CID 122665500

IUPAC6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine
SMILESc1ccc(-n2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ncccc34)nc3ccccc32)cc1
InChIInChI=1S/C39H24N4/c1-2-12-26(13-3-1)43-35-19-9-8-18-34(35)42-39(43)29-22-23-32(37-28(29)16-10-24-40-37)38-31-21-20-25-11-4-5-14-27(25)36(31)30-15-6-7-17-33(30)41-38/h1-24H
InChIKeyLEWTYXYZOWRGDN-UHFFFAOYSA-N
MW548.65 g/mol
LogP9.76
Rot. Bonds3

About 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine

6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine (PubChem CID 122665500) has the molecular formula C39H24N4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine
PubChem CID122665500
Molecular FormulaC39H24N4
Molecular Weight548.65 g/mol
Exact Mass548.20
IUPAC Name6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine
SMILESc1ccc(-n2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ncccc34)nc3ccccc32)cc1
InChIInChI=1S/C39H24N4/c1-2-12-26(13-3-1)43-35-19-9-8-18-34(35)42-39(43)29-22-23-32(37-28(29)16-10-24-40-37)38-31-21-20-25-11-4-5-14-27(25)36(31)30-15-6-7-17-33(30)41-38/h1-24H
InChIKeyLEWTYXYZOWRGDN-UHFFFAOYSA-N
XLogP9.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 59.76
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

5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol
CID 136502698
7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-8-ol
CID 136502697
6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665365
5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
CID 138705133
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
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
6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665547
N,N-diphenyl-4-[1-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-6-yl]aniline
CID 171054995
6-(2-phenanthren-3-yl-4-pyridinyl)benzo[k]phenanthridine;6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 162249363
6-(4-naphthalen-1-ylisoquinolin-1-yl)benzo[k]phenanthridine;6-(4-naphthalen-2-ylisoquinolin-1-yl)benzo[k]phenanthridine;6-[4-(1-phenylbenzimidazol-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine;6-(4-phenylisoquinolin-1-yl)benzo[k]phenanthridine
CID 159043131

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
The IUPAC name of 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine (CID 122665500) is 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
The canonical SMILES for 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine is c1ccc(-n2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ncccc34)nc3ccccc32)cc1.
What is the InChIKey of 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
The InChIKey is LEWTYXYZOWRGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4/c1-2-12-26(13-3-1)43-35-19-9-8-18-34(35)42-39(43)29-22-23-32(37-28(29)16-10-24-40-37)38-31-21-20-25-11-4-5-14-27(25)36(31)30-15-6-7-17-33(30)41-38/h1-24H.
What are the key properties of 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine has a molecular weight of 548.65 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine is sourced from PubChem (CID 122665500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).