2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline

C32H19N3O — CID 164825395

IUPAC2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline
SMILESc1ccc(-n2c(-c3cccc4c3oc3c5ccccc5ccc43)nc3c4ccccc4cnc32)cc1
InChIInChI=1S/C32H19N3O/c1-2-11-22(12-3-1)35-31(34-28-23-13-6-5-10-21(23)19-33-32(28)35)27-16-8-15-25-26-18-17-20-9-4-7-14-24(20)29(26)36-30(25)27/h1-19H
InChIKeyYLBAROVFDARDJO-UHFFFAOYSA-N
MW461.52 g/mol
LogP8.29
Rot. Bonds2

About 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline

2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline (PubChem CID 164825395) has the molecular formula C32H19N3O and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline.

Molecular Properties

Compound Name2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline
PubChem CID164825395
Molecular FormulaC32H19N3O
Molecular Weight461.52 g/mol
Exact Mass461.15
IUPAC Name2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline
SMILESc1ccc(-n2c(-c3cccc4c3oc3c5ccccc5ccc43)nc3c4ccccc4cnc32)cc1
InChIInChI=1S/C32H19N3O/c1-2-11-22(12-3-1)35-31(34-28-23-13-6-5-10-21(23)19-33-32(28)35)27-16-8-15-25-26-18-17-20-9-4-7-14-24(20)29(26)36-30(25)27/h1-19H
InChIKeyYLBAROVFDARDJO-UHFFFAOYSA-N
XLogP8.29
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 164825035
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline
CID 164824655
2-naphtho[1,2-b][1]benzofuran-10-yl-1-phenylimidazo[4,5-c]pyridine
CID 164824950
4,6-dimethyl-2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]pyridine
CID 164824756
2-naphtho[1,2-b][1]benzofuran-10-yl-1-(2-phenylphenyl)benzo[e]benzimidazole
CID 156660260
8-[3-(2-phenylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156667503
7-tert-butyl-2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-1-phenylimidazo[4,5-c]pyridine
CID 164825662
2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783397
4-[4-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736762
2-(7-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-b]quinoxaline
CID 164826444
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-phenylimidazo[4,5-c]isoquinoline
CID 164824328
3-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]quinoline
CID 164825385

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline?
The IUPAC name of 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline (CID 164825395) is 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline.
What is the SMILES notation for 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline?
The canonical SMILES for 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline is c1ccc(-n2c(-c3cccc4c3oc3c5ccccc5ccc43)nc3c4ccccc4cnc32)cc1.
What is the InChIKey of 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline?
The InChIKey is YLBAROVFDARDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3O/c1-2-11-22(12-3-1)35-31(34-28-23-13-6-5-10-21(23)19-33-32(28)35)27-16-8-15-25-26-18-17-20-9-4-7-14-24(20)29(26)36-30(25)27/h1-19H.
What are the key properties of 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline?
2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline has a molecular weight of 461.52 g/mol, XLogP of 8.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline is sourced from PubChem (CID 164825395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).