10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole

C44H27NOS — CID 164828239

IUPAC10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6oc7c8ccccc8n(-c8ccccc8)c7c6c5)cc4)ccc23)cc1
InChIInChI=1S/C44H27NOS/c1-3-9-28(10-4-1)32-19-22-35-36-23-20-33(27-42(36)47-41(35)26-32)30-17-15-29(16-18-30)31-21-24-40-38(25-31)43-44(46-40)37-13-7-8-14-39(37)45(43)34-11-5-2-6-12-34/h1-27H
InChIKeyAQYFOSUGDCPXLX-UHFFFAOYSA-N
MW617.77 g/mol
LogP12.90
Rot. Bonds4

About 10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole

10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 164828239) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is 10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID164828239
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC Name10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6oc7c8ccccc8n(-c8ccccc8)c7c6c5)cc4)ccc23)cc1
InChIInChI=1S/C44H27NOS/c1-3-9-28(10-4-1)32-19-22-35-36-23-20-33(27-42(36)47-41(35)26-32)30-17-15-29(16-18-30)31-21-24-40-38(25-31)43-44(46-40)37-13-7-8-14-39(37)45(43)34-11-5-2-6-12-34/h1-27H
InChIKeyAQYFOSUGDCPXLX-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

8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828465
10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827948
7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828059
10-phenyl-8-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827955
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole
CID 164827967
10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828184
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 118405520
12-phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223760
10-phenyl-8-(6-phenyldibenzofuran-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828443
12-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163763332
12-(3-dibenzothiophen-3-ylphenyl)-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359213

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (CID 164828239) is 10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6oc7c8ccccc8n(-c8ccccc8)c7c6c5)cc4)ccc23)cc1.
What is the InChIKey of 10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is AQYFOSUGDCPXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-3-9-28(10-4-1)32-19-22-35-36-23-20-33(27-42(36)47-41(35)26-32)30-17-15-29(16-18-30)31-21-24-40-38(25-31)43-44(46-40)37-13-7-8-14-39(37)45(43)34-11-5-2-6-12-34/h1-27H.
What are the key properties of 10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[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-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).