10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole

C44H27NOS — CID 164828134

IUPAC10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2ccc3oc4c(-c5ccc(-c6cccc7c6sc6c8ccccc8n(-c8ccccc8)c76)cc5)cccc4c3c2)cc1
InChIInChI=1S/C44H27NOS/c1-3-11-28(12-4-1)31-25-26-40-38(27-31)35-18-9-16-33(42(35)46-40)29-21-23-30(24-22-29)34-17-10-19-37-41-44(47-43(34)37)36-15-7-8-20-39(36)45(41)32-13-5-2-6-14-32/h1-27H
InChIKeyYRCRUOYGLRCAOC-UHFFFAOYSA-N
MW617.77 g/mol
LogP12.90
Rot. Bonds4

About 10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole

10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole (PubChem CID 164828134) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is 10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
PubChem CID164828134
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC Name10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-c2ccc3oc4c(-c5ccc(-c6cccc7c6sc6c8ccccc8n(-c8ccccc8)c76)cc5)cccc4c3c2)cc1
InChIInChI=1S/C44H27NOS/c1-3-11-28(12-4-1)31-25-26-40-38(27-31)35-18-9-16-33(42(35)46-40)29-21-23-30(24-22-29)34-17-10-19-37-41-44(47-43(34)37)36-15-7-8-20-39(36)45(41)32-13-5-2-6-14-32/h1-27H
InChIKeyYRCRUOYGLRCAOC-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

10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
8-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828044
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
10-phenyl-8-(6-phenyldibenzofuran-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828443
10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole
CID 164828249
6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828236
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
9-(4-dibenzofuran-2-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827733
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 162699405

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole (CID 164828134) is 10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole is c1ccc(-c2ccc3oc4c(-c5ccc(-c6cccc7c6sc6c8ccccc8n(-c8ccccc8)c76)cc5)cccc4c3c2)cc1.
What is the InChIKey of 10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
The InChIKey is YRCRUOYGLRCAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-3-11-28(12-4-1)31-25-26-40-38(27-31)35-18-9-16-33(42(35)46-40)29-21-23-30(24-22-29)34-17-10-19-37-41-44(47-43(34)37)36-15-7-8-20-39(36)45(41)32-13-5-2-6-14-32/h1-27H.
What are the key properties of 10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole?
10-phenyl-6-[4-(8-phenyldibenzofuran-4-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-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).