phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone

C33H22N2O — CID 118315223

IUPACphenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(-n2c3ccccc3c3cc4c(ccn4-c4ccccc4)cc32)c1
InChIInChI=1S/C33H22N2O/c36-33(23-10-3-1-4-11-23)25-12-9-15-27(20-25)35-30-17-8-7-16-28(30)29-22-31-24(21-32(29)35)18-19-34(31)26-13-5-2-6-14-26/h1-22H
InChIKeyAMQPFKJUISNPPF-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.96
Rot. Bonds4

About phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone

phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone (PubChem CID 118315223) has the molecular formula C33H22N2O and a molecular weight of 462.55 g/mol. Its IUPAC name is phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
PubChem CID118315223
Molecular FormulaC33H22N2O
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC Namephenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(-n2c3ccccc3c3cc4c(ccn4-c4ccccc4)cc32)c1
InChIInChI=1S/C33H22N2O/c36-33(23-10-3-1-4-11-23)25-12-9-15-27(20-25)35-30-17-8-7-16-28(30)29-22-31-24(21-32(29)35)18-19-34(31)26-13-5-2-6-14-26/h1-22H
InChIKeyAMQPFKJUISNPPF-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

Analyze phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline
CID 90062777
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223606
3-phenyl-9-[3-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 90062831
3-phenyl-9-[6-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)pyrimidin-4-yl]pyrrolo[3,2-b]carbazole
CID 90091160
3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole
CID 118316120
10,19-diphenyl-23-(3-pyridin-2-ylphenyl)-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267588
3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 90062827

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone?
The IUPAC name of phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone (CID 118315223) is phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone.
What is the SMILES notation for phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone?
The canonical SMILES for phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone is O=C(c1ccccc1)c1cccc(-n2c3ccccc3c3cc4c(ccn4-c4ccccc4)cc32)c1.
What is the InChIKey of phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone?
The InChIKey is AMQPFKJUISNPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O/c36-33(23-10-3-1-4-11-23)25-12-9-15-27(20-25)35-30-17-8-7-16-28(30)29-22-31-24(21-32(29)35)18-19-34(31)26-13-5-2-6-14-26/h1-22H.
What are the key properties of phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone?
phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-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[3,2-b]carbazol-9-yl)phenyl]methanone is sourced from PubChem (CID 118315223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).