3,4,9-triphenylpyrrolo[3,2-b]carbazole

C32H22N2 — CID 144661764

IUPAC3,4,9-triphenylpyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2c3c4ccccc4n(-c4ccccc4)c3cc3ccn(-c4ccccc4)c23)cc1
InChIInChI=1S/C32H22N2/c1-4-12-23(13-5-1)30-31-27-18-10-11-19-28(27)34(26-16-8-3-9-17-26)29(31)22-24-20-21-33(32(24)30)25-14-6-2-7-15-25/h1-22H
InChIKeyIGOUOBKECIMSCY-UHFFFAOYSA-N
MW434.54 g/mol
LogP8.39
Rot. Bonds3

About 3,4,9-triphenylpyrrolo[3,2-b]carbazole

3,4,9-triphenylpyrrolo[3,2-b]carbazole (PubChem CID 144661764) has the molecular formula C32H22N2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3,4,9-triphenylpyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name3,4,9-triphenylpyrrolo[3,2-b]carbazole
PubChem CID144661764
Molecular FormulaC32H22N2
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name3,4,9-triphenylpyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2c3c4ccccc4n(-c4ccccc4)c3cc3ccn(-c4ccccc4)c23)cc1
InChIInChI=1S/C32H22N2/c1-4-12-23(13-5-1)30-31-27-18-10-11-19-28(27)34(26-16-8-3-9-17-26)29(31)22-24-20-21-33(32(24)30)25-14-6-2-7-15-25/h1-22H
InChIKeyIGOUOBKECIMSCY-UHFFFAOYSA-N
XLogP8.39
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,12-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727741
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,4-diphenylpyrrolo[2,3-b]carbazole
CID 163664965
4,9-diphenyl-1H-pyrrolo[2,3-b]carbazole
CID 90257487
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5,12-diphenylindolo[3,2-b]carbazole
CID 170255532
14-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222950
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,12-diphenylindolo[2,3-b]carbazole
CID 170255499
15-phenyl-9-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 144645343
7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 146368712
10-(4-anthracen-9-ylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 118315120
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 170255530

Frequently Asked Questions

What is the IUPAC name of 3,4,9-triphenylpyrrolo[3,2-b]carbazole?
The IUPAC name of 3,4,9-triphenylpyrrolo[3,2-b]carbazole (CID 144661764) is 3,4,9-triphenylpyrrolo[3,2-b]carbazole.
What is the SMILES notation for 3,4,9-triphenylpyrrolo[3,2-b]carbazole?
The canonical SMILES for 3,4,9-triphenylpyrrolo[3,2-b]carbazole is c1ccc(-c2c3c4ccccc4n(-c4ccccc4)c3cc3ccn(-c4ccccc4)c23)cc1.
What is the InChIKey of 3,4,9-triphenylpyrrolo[3,2-b]carbazole?
The InChIKey is IGOUOBKECIMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2/c1-4-12-23(13-5-1)30-31-27-18-10-11-19-28(27)34(26-16-8-3-9-17-26)29(31)22-24-20-21-33(32(24)30)25-14-6-2-7-15-25/h1-22H.
What are the key properties of 3,4,9-triphenylpyrrolo[3,2-b]carbazole?
3,4,9-triphenylpyrrolo[3,2-b]carbazole has a molecular weight of 434.54 g/mol, XLogP of 8.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9-triphenylpyrrolo[3,2-b]carbazole is sourced from PubChem (CID 144661764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).