10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole

C44H27NOS — CID 164828402

IUPAC10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4ccc(-c5cccc6c5sc5c7ccccc7n(-c7ccccc7)c65)cc4)ccc23)cc1
InChIInChI=1S/C44H27NOS/c1-3-10-28(11-4-1)31-22-24-35-36-25-23-32(27-41(36)46-40(35)26-31)29-18-20-30(21-19-29)34-15-9-16-38-42-44(47-43(34)38)37-14-7-8-17-39(37)45(42)33-12-5-2-6-13-33/h1-27H
InChIKeyLWBGSVWFHWRGEK-UHFFFAOYSA-N
MW617.77 g/mol
LogP12.90
Rot. Bonds4

About 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole

10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole (PubChem CID 164828402) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
PubChem CID164828402
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC Name10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)oc2cc(-c4ccc(-c5cccc6c5sc5c7ccccc7n(-c7ccccc7)c65)cc4)ccc23)cc1
InChIInChI=1S/C44H27NOS/c1-3-10-28(11-4-1)31-22-24-35-36-25-23-32(27-41(36)46-40(35)26-31)29-18-20-30(21-19-29)34-15-9-16-38-42-44(47-43(34)38)37-14-7-8-17-39(37)45(42)33-12-5-2-6-13-33/h1-27H
InChIKeyLWBGSVWFHWRGEK-UHFFFAOYSA-N
XLogP12.90
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.77
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828236
10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828134
9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828539
6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828091
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 90296120
7-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828396
N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157487885
10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828366
9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827809
6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828585
10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828351

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole (CID 164828402) is 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole is c1ccc(-c2ccc3c(c2)oc2cc(-c4ccc(-c5cccc6c5sc5c7ccccc7n(-c7ccccc7)c65)cc4)ccc23)cc1.
What is the InChIKey of 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The InChIKey is LWBGSVWFHWRGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-3-10-28(11-4-1)31-22-24-35-36-25-23-32(27-41(36)46-40(35)26-31)29-18-20-30(21-19-29)34-15-9-16-38-42-44(47-43(34)38)37-14-7-8-17-39(37)45(42)33-12-5-2-6-13-33/h1-27H.
What are the key properties of 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole has a molecular weight of 617.77 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).