1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole

C33H21N5 — CID 90062799

IUPAC1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5cccc(-c6ncc7cnccc7n6)c5)c4cc32)cc1
InChIInChI=1S/C33H21N5/c1-2-8-25(9-3-1)37-16-14-22-18-28-27-11-4-5-12-30(27)38(32(28)19-31(22)37)26-10-6-7-23(17-26)33-35-21-24-20-34-15-13-29(24)36-33/h1-21H
InChIKeyOANBPWSFVLUDBB-UHFFFAOYSA-N
MW487.57 g/mol
LogP7.73
Rot. Bonds3

About 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole

1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole (PubChem CID 90062799) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole
PubChem CID90062799
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole
SMILESc1ccc(-n2ccc3cc4c5ccccc5n(-c5cccc(-c6ncc7cnccc7n6)c5)c4cc32)cc1
InChIInChI=1S/C33H21N5/c1-2-8-25(9-3-1)37-16-14-22-18-28-27-11-4-5-12-30(27)38(32(28)19-31(22)37)26-10-6-7-23(17-26)33-35-21-24-20-34-15-13-29(24)36-33/h1-21H
InChIKeyOANBPWSFVLUDBB-UHFFFAOYSA-N
XLogP7.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole 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

3-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-b]carbazole
CID 118317283
1-phenyl-9-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[2,3-b]carbazole
CID 90062530
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
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
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
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
3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 90062827
1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
CID 90062529
1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118317252
1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole
CID 118317381
3-phenyl-9-[3-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 90062831

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole?
The IUPAC name of 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole (CID 90062799) is 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole.
What is the SMILES notation for 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole?
The canonical SMILES for 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole is c1ccc(-n2ccc3cc4c5ccccc5n(-c5cccc(-c6ncc7cnccc7n6)c5)c4cc32)cc1.
What is the InChIKey of 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole?
The InChIKey is OANBPWSFVLUDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-2-8-25(9-3-1)37-16-14-22-18-28-27-11-4-5-12-30(27)38(32(28)19-31(22)37)26-10-6-7-23(17-26)33-35-21-24-20-34-15-13-29(24)36-33/h1-21H.
What are the key properties of 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole?
1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole has a molecular weight of 487.57 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole is sourced from PubChem (CID 90062799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).