12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole

C31H21NO — CID 172524299

IUPAC12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCc1cccc(-n2c3ccccc3c3cc(-c4ccccc4)c4c5ccccc5oc4c32)c1
InChIInChI=1S/C31H21NO/c1-20-10-9-13-22(18-20)32-27-16-7-5-14-23(27)26-19-25(21-11-3-2-4-12-21)29-24-15-6-8-17-28(24)33-31(29)30(26)32/h2-19H,1H3
InChIKeyFFOHEEJFMCWKFS-UHFFFAOYSA-N
MW423.52 g/mol
LogP8.66
Rot. Bonds2

About 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole

12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 172524299) has the molecular formula C31H21NO and a molecular weight of 423.52 g/mol. Its IUPAC name is 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID172524299
Molecular FormulaC31H21NO
Molecular Weight423.52 g/mol
Exact Mass423.16
IUPAC Name12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCc1cccc(-n2c3ccccc3c3cc(-c4ccccc4)c4c5ccccc5oc4c32)c1
InChIInChI=1S/C31H21NO/c1-20-10-9-13-22(18-20)32-27-16-7-5-14-23(27)26-19-25(21-11-3-2-4-12-21)29-24-15-6-8-17-28(24)33-31(29)30(26)32/h2-19H,1H3
InChIKeyFFOHEEJFMCWKFS-UHFFFAOYSA-N
XLogP8.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988
N,N-diphenyl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)aniline
CID 134275427
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530401
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151
10-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]indole
CID 121298634
3-N-(4-naphthalen-1-ylphenyl)-1-N,1-N,3-N-triphenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)benzene-1,3-diamine
CID 134275326
12-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780527
9-dibenzofuran-2-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501188
9-dibenzofuran-3-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501171

Frequently Asked Questions

What is the IUPAC name of 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole (CID 172524299) is 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole is Cc1cccc(-n2c3ccccc3c3cc(-c4ccccc4)c4c5ccccc5oc4c32)c1.
What is the InChIKey of 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is FFOHEEJFMCWKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO/c1-20-10-9-13-22(18-20)32-27-16-7-5-14-23(27)26-19-25(21-11-3-2-4-12-21)29-24-15-6-8-17-28(24)33-31(29)30(26)32/h2-19H,1H3.
What are the key properties of 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole?
12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 423.52 g/mol, XLogP of 8.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-methylphenyl)-6-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 172524299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).