9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole

C38H25N3 — CID 118315081

IUPAC9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4cc32)cc1
InChIInChI=1S/C38H25N3/c1-2-11-27(12-3-1)39-22-21-26-23-33-32-17-6-9-20-36(32)41(38(33)25-37(26)39)29-14-10-13-28(24-29)40-34-18-7-4-15-30(34)31-16-5-8-19-35(31)40/h1-25H
InChIKeyOSFMZLVHJPONFZ-UHFFFAOYSA-N
MW523.64 g/mol
LogP9.82
Rot. Bonds3

About 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole

9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole (PubChem CID 118315081) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
PubChem CID118315081
Molecular FormulaC38H25N3
Molecular Weight523.64 g/mol
Exact Mass523.20
IUPAC Name9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4cc32)cc1
InChIInChI=1S/C38H25N3/c1-2-11-27(12-3-1)39-22-21-26-23-33-32-17-6-9-20-36(32)41(38(33)25-37(26)39)29-14-10-13-28(24-29)40-34-18-7-4-15-30(34)31-16-5-8-19-35(31)40/h1-25H
InChIKeyOSFMZLVHJPONFZ-UHFFFAOYSA-N
XLogP9.82
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026
3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)aniline
CID 90062777
1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
CID 118315018
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
phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
CID 118315223
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
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
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
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
18-phenyl-10-(3-pyridin-4-ylphenyl)-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 90222805
16-phenyl-10-(3-pyridin-4-ylphenyl)-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 90223553

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole (CID 118315081) is 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole is c1ccc(-n2ccc3cc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4cc32)cc1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole?
The InChIKey is OSFMZLVHJPONFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3/c1-2-11-27(12-3-1)39-22-21-26-23-33-32-17-6-9-20-36(32)41(38(33)25-37(26)39)29-14-10-13-28(24-29)40-34-18-7-4-15-30(34)31-16-5-8-19-35(31)40/h1-25H.
What are the key properties of 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole?
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole has a molecular weight of 523.64 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 118315081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).