phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone

C33H22N2O — CID 118315300

IUPACphenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(-n2c3ccccc3c3c4ccn(-c5ccccc5)c4ccc32)c1
InChIInChI=1S/C33H22N2O/c36-33(23-10-3-1-4-11-23)24-12-9-15-26(22-24)35-30-17-8-7-16-27(30)32-28-20-21-34(25-13-5-2-6-14-25)29(28)18-19-31(32)35/h1-22H
InChIKeyJAPGQUUMGSYBHB-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.96
Rot. Bonds4

About phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone

phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone (PubChem CID 118315300) has the molecular formula C33H22N2O and a molecular weight of 462.55 g/mol. Its IUPAC name is phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
PubChem CID118315300
Molecular FormulaC33H22N2O
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC Namephenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(-n2c3ccccc3c3c4ccn(-c5ccccc5)c4ccc32)c1
InChIInChI=1S/C33H22N2O/c36-33(23-10-3-1-4-11-23)24-12-9-15-26(22-24)35-30-17-8-7-16-27(30)32-28-20-21-34(25-13-5-2-6-14-25)29(28)18-19-31(32)35/h1-22H
InChIKeyJAPGQUUMGSYBHB-UHFFFAOYSA-N
XLogP7.96
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone?
The IUPAC name of phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone (CID 118315300) is phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone.
What is the SMILES notation for phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone?
The canonical SMILES for phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone is O=C(c1ccccc1)c1cccc(-n2c3ccccc3c3c4ccn(-c5ccccc5)c4ccc32)c1.
What is the InChIKey of phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone?
The InChIKey is JAPGQUUMGSYBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O/c36-33(23-10-3-1-4-11-23)24-12-9-15-26(22-24)35-30-17-8-7-16-27(30)32-28-20-21-34(25-13-5-2-6-14-25)29(28)18-19-31(32)35/h1-22H.
What are the key properties of phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone?
phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone has a molecular weight of 462.55 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone is sourced from PubChem (CID 118315300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).