phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone

C33H22N2O — CID 118315065

IUPACphenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-n2c3ccccc3c3cc4ccn(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C33H22N2O/c36-33(23-9-3-1-4-10-23)24-15-17-27(18-16-24)35-30-14-8-7-13-28(30)29-21-25-19-20-34(31(25)22-32(29)35)26-11-5-2-6-12-26/h1-22H
InChIKeyKQEQHXWSJFHBJB-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.96
Rot. Bonds4

About phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone

phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone (PubChem CID 118315065) has the molecular formula C33H22N2O and a molecular weight of 462.55 g/mol. Its IUPAC name is phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
PubChem CID118315065
Molecular FormulaC33H22N2O
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC Namephenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-n2c3ccccc3c3cc4ccn(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C33H22N2O/c36-33(23-9-3-1-4-10-23)24-15-17-27(18-16-24)35-30-14-8-7-13-28(30)29-21-25-19-20-34(31(25)22-32(29)35)26-11-5-2-6-12-26/h1-22H
InChIKeyKQEQHXWSJFHBJB-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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Related Compounds

phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
CID 118315223
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
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 123940572
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-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 90267570
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
CID 118315018
10-(2,6-dipyridin-2-yl-4-pyridinyl)-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 90223602
naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
CID 118315304

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone?
The IUPAC name of phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone (CID 118315065) is phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone?
The canonical SMILES for phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone is O=C(c1ccccc1)c1ccc(-n2c3ccccc3c3cc4ccn(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone?
The InChIKey is KQEQHXWSJFHBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O/c36-33(23-9-3-1-4-10-23)24-15-17-27(18-16-24)35-30-14-8-7-13-28(30)29-21-25-19-20-34(31(25)22-32(29)35)26-11-5-2-6-12-26/h1-22H.
What are the key properties of phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone?
phenyl-[4-(1-phenylpyrrolo[2,3-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-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone is sourced from PubChem (CID 118315065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).