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

C42H26N2O — CID 165168948

IUPAC4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6cc(-n7c8ccccc8c8ccccc87)ccc6c5)c4oc32)cc1
InChIInChI=1S/C42H26N2O/c1-2-11-30(12-3-1)44-39-20-9-6-15-35(39)40-36-17-10-16-32(41(36)45-42(40)44)29-22-21-28-26-31(24-23-27(28)25-29)43-37-18-7-4-13-33(37)34-14-5-8-19-38(34)43/h1-26H
InChIKeyQXBFBEXHKJPHJQ-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.45
Rot. Bonds3

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

4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168948) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165168948
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESc1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6cc(-n7c8ccccc8c8ccccc87)ccc6c5)c4oc32)cc1
InChIInChI=1S/C42H26N2O/c1-2-11-30(12-3-1)44-39-20-9-6-15-35(39)40-36-17-10-16-32(41(36)45-42(40)44)29-22-21-28-26-31(24-23-27(28)25-29)43-37-18-7-4-13-33(37)34-14-5-8-19-38(34)43/h1-26H
InChIKeyQXBFBEXHKJPHJQ-UHFFFAOYSA-N
XLogP11.45
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-carbazol-9-ylphenanthren-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169034
4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168635
4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168878
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole;6-phenyl-4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167657719
3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161417407
2-[9-(6-dibenzofuran-1-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753215
6-phenyl-4-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b]indole
CID 166872684
6-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-2-[9-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420566
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
1-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168642
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159453315
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775

Frequently Asked Questions

What is the IUPAC name of 4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168948) is 4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole is c1ccc(-n2c3ccccc3c3c4cccc(-c5ccc6cc(-n7c8ccccc8c8ccccc87)ccc6c5)c4oc32)cc1.
What is the InChIKey of 4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is QXBFBEXHKJPHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-11-30(12-3-1)44-39-20-9-6-15-35(39)40-36-17-10-16-32(41(36)45-42(40)44)29-22-21-28-26-31(24-23-27(28)25-29)43-37-18-7-4-13-33(37)34-14-5-8-19-38(34)43/h1-26H.
What are the key properties of 4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole?
4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 574.68 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-carbazol-9-ylnaphthalen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).