10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole

C44H28N2O — CID 164828176

IUPAC10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4-c4cccc5oc6c7ccccc7n(-c7ccccc7)c6c45)cc32)cc1
InChIInChI=1S/C44H28N2O/c1-3-14-30(15-4-1)45-38-23-11-9-20-34(38)35-27-26-29(28-40(35)45)32-18-7-8-19-33(32)36-22-13-25-41-42(36)43-44(47-41)37-21-10-12-24-39(37)46(43)31-16-5-2-6-17-31/h1-28H
InChIKeyLIUBCAQRWFRSBX-UHFFFAOYSA-N
MW600.72 g/mol
LogP11.96
Rot. Bonds4

About 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole

10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 164828176) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID164828176
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccccc4-c4cccc5oc6c7ccccc7n(-c7ccccc7)c6c45)cc32)cc1
InChIInChI=1S/C44H28N2O/c1-3-14-30(15-4-1)45-38-23-11-9-20-34(38)35-27-26-29(28-40(35)45)32-18-7-8-19-33(32)36-22-13-25-41-42(36)43-44(47-41)37-21-10-12-24-39(37)46(43)31-16-5-2-6-17-31/h1-28H
InChIKeyLIUBCAQRWFRSBX-UHFFFAOYSA-N
XLogP11.96
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828351
7-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828561
10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828366
10-phenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828014
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
7-dibenzofuran-4-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828575
8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828376
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
9-phenyl-1-[2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-5-[9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazol-2-yl]carbazole
CID 166867085
9-(4-dibenzofuran-2-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827733
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole (CID 164828176) is 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole is c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4-c4cccc5oc6c7ccccc7n(-c7ccccc7)c6c45)cc32)cc1.
What is the InChIKey of 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is LIUBCAQRWFRSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-3-14-30(15-4-1)45-38-23-11-9-20-34(38)35-27-26-29(28-40(35)45)32-18-7-8-19-33(32)36-22-13-25-41-42(36)43-44(47-41)37-21-10-12-24-39(37)46(43)31-16-5-2-6-17-31/h1-28H.
What are the key properties of 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole?
10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole has a molecular weight of 600.72 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).