1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone

C27H17NO2 — CID 71739497

IUPAC1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone
SMILESO=C(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C27H17NO2/c29-27(26-17-18-8-4-7-13-25(18)30-26)19-14-15-24-22(16-19)21-11-5-6-12-23(21)28(24)20-9-2-1-3-10-20/h1-17H
InChIKeyKEDSMBMXDHTTCG-UHFFFAOYSA-N
MW387.44 g/mol
LogP6.76
Rot. Bonds3

About 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone

1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone (PubChem CID 71739497) has the molecular formula C27H17NO2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone
PubChem CID71739497
Molecular FormulaC27H17NO2
Molecular Weight387.44 g/mol
Exact Mass387.13
IUPAC Name1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone
SMILESO=C(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C27H17NO2/c29-27(26-17-18-8-4-7-13-25(18)30-26)19-14-15-24-22(16-19)21-11-5-6-12-23(21)28(24)20-9-2-1-3-10-20/h1-17H
InChIKeyKEDSMBMXDHTTCG-UHFFFAOYSA-N
XLogP6.76
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(9-ethyl-6-methylcarbazol-3-yl)methanone
CID 146311469
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
3-[9-[4-(1-benzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 70659036
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
3-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146183239
1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
21-(9-phenylcarbazol-3-yl)-6,11-dioxa-21-azahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaene
CID 135130599
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone (CID 71739497) is 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone is O=C(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone?
The InChIKey is KEDSMBMXDHTTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO2/c29-27(26-17-18-8-4-7-13-25(18)30-26)19-14-15-24-22(16-19)21-11-5-6-12-23(21)28(24)20-9-2-1-3-10-20/h1-17H.
What are the key properties of 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone?
1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone has a molecular weight of 387.44 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(9-phenylcarbazol-3-yl)methanone is sourced from PubChem (CID 71739497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).