8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole

C38H23NO2 — CID 164828376

IUPAC8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4ccc(-c5ccccc5-c5cccc6c5oc5ccccc56)cc4c32)cc1
InChIInChI=1S/C38H23NO2/c1-2-11-25(12-3-1)39-33-19-8-6-16-31(33)38-36(39)32-23-24(21-22-35(32)41-38)26-13-4-5-14-27(26)29-17-10-18-30-28-15-7-9-20-34(28)40-37(29)30/h1-23H
InChIKeyYVUHJSFIQDVWOQ-UHFFFAOYSA-N
MW525.61 g/mol
LogP10.76
Rot. Bonds3

About 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole

8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole (PubChem CID 164828376) has the molecular formula C38H23NO2 and a molecular weight of 525.61 g/mol. Its IUPAC name is 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
PubChem CID164828376
Molecular FormulaC38H23NO2
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC Name8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4ccc(-c5ccccc5-c5cccc6c5oc5ccccc56)cc4c32)cc1
InChIInChI=1S/C38H23NO2/c1-2-11-25(12-3-1)39-33-19-8-6-16-31(33)38-36(39)32-23-24(21-22-35(32)41-38)26-13-4-5-14-27(26)29-17-10-18-30-28-15-7-9-20-34(28)40-37(29)30/h1-23H
InChIKeyYVUHJSFIQDVWOQ-UHFFFAOYSA-N
XLogP10.76
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The IUPAC name of 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole (CID 164828376) is 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole is c1ccc(-n2c3ccccc3c3oc4ccc(-c5ccccc5-c5cccc6c5oc5ccccc56)cc4c32)cc1.
What is the InChIKey of 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The InChIKey is YVUHJSFIQDVWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO2/c1-2-11-25(12-3-1)39-33-19-8-6-16-31(33)38-36(39)32-23-24(21-22-35(32)41-38)26-13-4-5-14-27(26)29-17-10-18-30-28-15-7-9-20-34(28)40-37(29)30/h1-23H.
What are the key properties of 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole has a molecular weight of 525.61 g/mol, XLogP of 10.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).