6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole

C42H25NO2 — CID 164828223

IUPAC6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4c(-c5cccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)c5)cccc4c32)cc1
InChIInChI=1S/C42H25NO2/c1-2-13-30(14-3-1)43-36-19-7-6-16-33(36)42-40(43)35-18-9-17-32(41(35)45-42)29-12-8-11-27(24-29)28-20-22-34-38(25-28)44-37-23-21-26-10-4-5-15-31(26)39(34)37/h1-25H
InChIKeyXSIZGEGNYDYETR-UHFFFAOYSA-N
MW575.67 g/mol
LogP11.92
Rot. Bonds3

About 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole

6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole (PubChem CID 164828223) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
PubChem CID164828223
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC Name6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4c(-c5cccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)c5)cccc4c32)cc1
InChIInChI=1S/C42H25NO2/c1-2-13-30(14-3-1)43-36-19-7-6-16-33(36)42-40(43)35-18-9-17-32(41(35)45-42)29-12-8-11-27(24-29)28-20-22-34-38(25-28)44-37-23-21-26-10-4-5-15-31(26)39(34)37/h1-25H
InChIKeyXSIZGEGNYDYETR-UHFFFAOYSA-N
XLogP11.92
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole with MolForge

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Related Compounds

7-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828600
6-(3-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827720
10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828366
7-dibenzofuran-4-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828575
6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828236
6-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828171
N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]dibenzofuran-3-amine;N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162093583
7-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828561
10-phenyl-8-(6-phenyldibenzofuran-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828443
9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827809
10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828351
10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole
CID 164827967

Frequently Asked Questions

What is the IUPAC name of 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The IUPAC name of 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole (CID 164828223) is 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole is c1ccc(-n2c3ccccc3c3oc4c(-c5cccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)c5)cccc4c32)cc1.
What is the InChIKey of 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The InChIKey is XSIZGEGNYDYETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-2-13-30(14-3-1)43-36-19-7-6-16-33(36)42-40(43)35-18-9-17-32(41(35)45-42)29-12-8-11-27(24-29)28-20-22-34-38(25-28)44-37-23-21-26-10-4-5-15-31(26)39(34)37/h1-25H.
What are the key properties of 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole has a molecular weight of 575.67 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).