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

C44H27NOS — CID 164827948

IUPAC10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6c(c5)oc5c7ccccc7n(-c7ccccc7)c65)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)31-21-24-38-40(25-31)46-44-37-13-7-8-14-39(37)45(43(38)44)34-11-5-2-6-12-34/h1-27H
InChIKeyVHRPGGZCBXHPSD-UHFFFAOYSA-N
MW617.77 g/mol
LogP12.90
Rot. Bonds4

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

10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 164827948) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is 10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID164827948
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC Name10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6c(c5)oc5c7ccccc7n(-c7ccccc7)c65)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)31-21-24-38-40(25-31)46-44-37-13-7-8-14-39(37)45(43(38)44)34-11-5-2-6-12-34/h1-27H
InChIKeyVHRPGGZCBXHPSD-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

7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828059
10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828239
8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828465
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
10-phenyl-8-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827955
9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163441133
7-dibenzofuran-4-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828575
7-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828600
10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828366
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
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-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (CID 164827948) is 10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc(-c5ccc6c(c5)oc5c7ccccc7n(-c7ccccc7)c65)cc4)ccc23)cc1.
What is the InChIKey of 10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is VHRPGGZCBXHPSD-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)31-21-24-38-40(25-31)46-44-37-13-7-8-14-39(37)45(43(38)44)34-11-5-2-6-12-34/h1-27H.
What are the key properties of 10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
10-phenyl-7-[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-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164827948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).