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

C38H22F2N2O — CID 165168575

IUPAC3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2ccc3c(c2)oc2c3c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C38H22F2N2O/c39-25-13-18-34-31(21-25)32-22-26(40)14-19-35(32)41(34)28-15-10-23(11-16-28)24-12-17-30-36(20-24)43-38-37(30)29-8-4-5-9-33(29)42(38)27-6-2-1-3-7-27/h1-22H
InChIKeyORIAAEMUPWPKLI-UHFFFAOYSA-N
MW560.60 g/mol
LogP10.57
Rot. Bonds3

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

3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (PubChem CID 165168575) has the molecular formula C38H22F2N2O and a molecular weight of 560.60 g/mol. Its IUPAC name is 3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
PubChem CID165168575
Molecular FormulaC38H22F2N2O
Molecular Weight560.60 g/mol
Exact Mass560.17
IUPAC Name3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2ccc3c(c2)oc2c3c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C38H22F2N2O/c39-25-13-18-34-31(21-25)32-22-26(40)14-19-35(32)41(34)28-15-10-23(11-16-28)24-12-17-30-36(20-24)43-38-37(30)29-8-4-5-9-33(29)42(38)27-6-2-1-3-7-27/h1-22H
InChIKeyORIAAEMUPWPKLI-UHFFFAOYSA-N
XLogP10.57
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.60
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168702
3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169014
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168729
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168936
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168644
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552
9-[4-[9-(3-dibenzofuran-3-ylphenyl)carbazol-3-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168773
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The IUPAC name of 3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole (CID 165168575) is 3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2ccc3c(c2)oc2c3c3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
The InChIKey is ORIAAEMUPWPKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F2N2O/c39-25-13-18-34-31(21-25)32-22-26(40)14-19-35(32)41(34)28-15-10-23(11-16-28)24-12-17-30-36(20-24)43-38-37(30)29-8-4-5-9-33(29)42(38)27-6-2-1-3-7-27/h1-22H.
What are the key properties of 3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole?
3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole has a molecular weight of 560.60 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,6-difluorocarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 165168575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).