1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole

C33H21N5 — CID 118317252

IUPAC1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2ccc3ccc4c5ccccc5n(-c5ccc(-c6ncc7cnccc7n6)cc5)c4c32)cc1
InChIInChI=1S/C33H21N5/c1-2-6-25(7-3-1)37-19-17-22-12-15-28-27-8-4-5-9-30(27)38(32(28)31(22)37)26-13-10-23(11-14-26)33-35-21-24-20-34-18-16-29(24)36-33/h1-21H
InChIKeyGQRIMIUEALWDKU-UHFFFAOYSA-N
MW487.57 g/mol
LogP7.73
Rot. Bonds3

About 1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole

1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole (PubChem CID 118317252) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
PubChem CID118317252
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2ccc3ccc4c5ccccc5n(-c5ccc(-c6ncc7cnccc7n6)cc5)c4c32)cc1
InChIInChI=1S/C33H21N5/c1-2-6-25(7-3-1)37-19-17-22-12-15-28-27-8-4-5-9-30(27)38(32(28)31(22)37)26-13-10-23(11-14-26)33-35-21-24-20-34-18-16-29(24)36-33/h1-21H
InChIKeyGQRIMIUEALWDKU-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

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Related Compounds

1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole
CID 118317381
3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 90062451
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
CID 123457400
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
10-phenyl-1-(5-pyridin-4-yl-2-pyridinyl)pyrrolo[2,3-a]carbazole
CID 123663832
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole
CID 90062799
3-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-b]carbazole
CID 118317283
1-phenyl-10-[4-(4-phenylphenyl)-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90091343
1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90090897
10-(4-anthracen-9-ylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 118315120
10-phenyl-1-(4-pyridin-2-ylphenyl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(4-pyridin-3-ylphenyl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(5-pyridin-3-yl-2-pyridinyl)pyrrolo[2,3-a]carbazole;10-phenyl-1-(5-pyridin-4-yl-2-pyridinyl)pyrrolo[2,3-a]carbazole
CID 160977911

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole?
The IUPAC name of 1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole (CID 118317252) is 1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole is c1ccc(-n2ccc3ccc4c5ccccc5n(-c5ccc(-c6ncc7cnccc7n6)cc5)c4c32)cc1.
What is the InChIKey of 1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole?
The InChIKey is GQRIMIUEALWDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-2-6-25(7-3-1)37-19-17-22-12-15-28-27-8-4-5-9-30(27)38(32(28)31(22)37)26-13-10-23(11-14-26)33-35-21-24-20-34-18-16-29(24)36-33/h1-21H.
What are the key properties of 1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole?
1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]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-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118317252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).