9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

C42H25NOS — CID 164827809

IUPAC9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)c4c32)cc1
InChIInChI=1S/C42H25NOS/c1-2-10-30(11-3-1)43-35-15-7-6-13-33(35)42-41(43)40-32(14-8-16-38(40)45-42)28-19-17-26(18-20-28)29-21-23-34-37(25-29)44-36-24-22-27-9-4-5-12-31(27)39(34)36/h1-25H
InChIKeyTULQDPDSMALJTM-UHFFFAOYSA-N
MW591.74 g/mol
LogP12.39
Rot. Bonds3

About 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164827809) has the molecular formula C42H25NOS and a molecular weight of 591.74 g/mol. Its IUPAC name is 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164827809
Molecular FormulaC42H25NOS
Molecular Weight591.74 g/mol
Exact Mass591.17
IUPAC Name9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)c4c32)cc1
InChIInChI=1S/C42H25NOS/c1-2-10-30(11-3-1)43-35-15-7-6-13-33(35)42-41(43)40-32(14-8-16-38(40)45-42)28-19-17-26(18-20-28)29-21-23-34-37(25-29)44-36-24-22-27-9-4-5-12-31(27)39(34)36/h1-25H
InChIKeyTULQDPDSMALJTM-UHFFFAOYSA-N
XLogP12.39
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.74
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole with MolForge

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Related Compounds

9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828539
6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828236
8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827902
9-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828049
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
9-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827777
10-phenyl-9-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827877
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876
10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
7-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828600
6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828223
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164827809) is 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4cccc(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)c4c32)cc1.
What is the InChIKey of 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is TULQDPDSMALJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS/c1-2-10-30(11-3-1)43-35-15-7-6-13-33(35)42-41(43)40-32(14-8-16-38(40)45-42)28-19-17-26(18-20-28)29-21-23-34-37(25-29)44-36-24-22-27-9-4-5-12-31(27)39(34)36/h1-25H.
What are the key properties of 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 591.74 g/mol, XLogP of 12.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164827809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).