1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

C44H28N2O — CID 165168642

IUPAC1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4c(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cccc4oc32)cc1
InChIInChI=1S/C44H28N2O/c1-2-11-32(12-3-1)46-40-19-9-6-15-37(40)43-42-34(16-10-20-41(42)47-44(43)46)31-23-21-29(22-24-31)30-25-27-33(28-26-30)45-38-17-7-4-13-35(38)36-14-5-8-18-39(36)45/h1-28H
InChIKeyGQFZNVILDVWQSB-UHFFFAOYSA-N
MW600.72 g/mol
LogP11.96
Rot. Bonds4

About 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole

1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168642) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165168642
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4c(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cccc4oc32)cc1
InChIInChI=1S/C44H28N2O/c1-2-11-32(12-3-1)46-40-19-9-6-15-37(40)43-42-34(16-10-20-41(42)47-44(43)46)31-23-21-29(22-24-31)30-25-27-33(28-26-30)45-38-17-7-4-13-35(38)36-14-5-8-18-39(36)45/h1-28H
InChIKeyGQFZNVILDVWQSB-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

1-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169102
(4-carbazol-9-ylphenyl)-diphenyl-[4-(6-phenyl-[1]benzofuro[2,3-b]indol-1-yl)phenyl]silane
CID 165168541
4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168635
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169014
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
7-[4-(3-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168843
N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline
CID 149051843
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168644

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168642) is 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4c(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cccc4oc32)cc1.
What is the InChIKey of 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is GQFZNVILDVWQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-2-11-32(12-3-1)46-40-19-9-6-15-37(40)43-42-34(16-10-20-41(42)47-44(43)46)31-23-21-29(22-24-31)30-25-27-33(28-26-30)45-38-17-7-4-13-35(38)36-14-5-8-18-39(36)45/h1-28H.
What are the key properties of 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-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 1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).