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

C143H88N10 — CID 159043131

IUPAC6-(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
SMILESc1ccc(-c2cnc(-c3nc4ccccc4c4c3ccc3ccccc34)c3ccccc23)cc1.c1ccc(-n2c(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)nc3ccccc32)cc1.c1ccc2c(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C39H24N4.2C36H22N2.C32H20N2/c1-2-13-26(14-3-1)43-35-21-11-10-20-34(35)42-39(43)32-24-40-37(29-17-7-6-16-28(29)32)38-31-23-22-25-12-4-5-15-27(25)36(31)30-18-8-9-19-33(30)41-38;1-3-13-25-23(10-1)12-9-18-27(25)32-22-37-35(29-16-6-5-15-28(29)32)36-31-21-20-24-11-2-4-14-26(24)34(31)30-17-7-8-19-33(30)38-36;1-2-11-25-21-26(18-17-23(25)9-1)32-22-37-35(29-14-6-5-13-28(29)32)36-31-20-19-24-10-3-4-12-27(24)34(31)30-15-7-8-16-33(30)38-36;1-2-10-21(11-3-1)28-20-33-31(25-15-7-6-14-24(25)28)32-27-19-18-22-12-4-5-13-23(22)30(27)26-16-8-9-17-29(26)34-32/h1-24H;2*1-22H;1-20H
InChIKeyJWICRUSCAQTMOF-UHFFFAOYSA-N
MW1946.35 g/mol
LogP37.34
Rot. Bonds9

About 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

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 (PubChem CID 159043131) has the molecular formula C143H88N10 and a molecular weight of 1946.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID159043131
Molecular FormulaC143H88N10
Molecular Weight1946.35 g/mol
Exact Mass1944.72
IUPAC Name6-(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
SMILESc1ccc(-c2cnc(-c3nc4ccccc4c4c3ccc3ccccc34)c3ccccc23)cc1.c1ccc(-n2c(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)nc3ccccc32)cc1.c1ccc2c(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C39H24N4.2C36H22N2.C32H20N2/c1-2-13-26(14-3-1)43-35-21-11-10-20-34(35)42-39(43)32-24-40-37(29-17-7-6-16-28(29)32)38-31-23-22-25-12-4-5-15-27(25)36(31)30-18-8-9-19-33(30)41-38;1-3-13-25-23(10-1)12-9-18-27(25)32-22-37-35(29-16-6-5-15-28(29)32)36-31-21-20-24-11-2-4-14-26(24)34(31)30-17-7-8-19-33(30)38-36;1-2-11-25-21-26(18-17-23(25)9-1)32-22-37-35(29-14-6-5-13-28(29)32)36-31-20-19-24-10-3-4-12-27(24)34(31)30-15-7-8-16-33(30)38-36;1-2-10-21(11-3-1)28-20-33-31(25-15-7-6-14-24(25)28)32-27-19-18-22-12-4-5-13-23(22)30(27)26-16-8-9-17-29(26)34-32/h1-24H;2*1-22H;1-20H
InChIKeyJWICRUSCAQTMOF-UHFFFAOYSA-N
XLogP37.34
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001946.35
LogP ≤ 537.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine
CID 122665499
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-1-phenylbenzimidazole
CID 88544794
2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole
CID 118604213
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
N,N-diphenyl-4-[1-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-6-yl]aniline
CID 171054995
6-naphthalen-2-yl-8-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665208
6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665500
N,N-diphenyl-3-[10-(1-phenylbenzimidazol-2-yl)benzo[k]phenanthridin-6-yl]aniline
CID 171054618
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
CID 59010615
2-(4-benzo[a]anthracen-4-ylphenyl)-1-phenylbenzimidazole
CID 59412563
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cnc(-c3nc4ccccc4c4c3ccc3ccccc34)c3ccccc23)cc1.c1ccc(-n2c(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)nc3ccccc32)cc1.c1ccc2c(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3cnc(-c4nc5ccccc5c5c4ccc4ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is JWICRUSCAQTMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4.2C36H22N2.C32H20N2/c1-2-13-26(14-3-1)43-35-21-11-10-20-34(35)42-39(43)32-24-40-37(29-17-7-6-16-28(29)32)38-31-23-22-25-12-4-5-15-27(25)36(31)30-18-8-9-19-33(30)41-38;1-3-13-25-23(10-1)12-9-18-27(25)32-22-37-35(29-16-6-5-15-28(29)32)36-31-21-20-24-11-2-4-14-26(24)34(31)30-17-7-8-19-33(30)38-36;1-2-11-25-21-26(18-17-23(25)9-1)32-22-37-35(29-14-6-5-13-28(29)32)36-31-20-19-24-10-3-4-12-27(24)34(31)30-15-7-8-16-33(30)38-36;1-2-10-21(11-3-1)28-20-33-31(25-15-7-6-14-24(25)28)32-27-19-18-22-12-4-5-13-23(22)30(27)26-16-8-9-17-29(26)34-32/h1-24H;2*1-22H;1-20H.
What are the key properties of 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?
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 has a molecular weight of 1946.35 g/mol, XLogP of 37.34, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159043131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).