1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole

C33H21N5 — CID 118317381

IUPAC1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole
SMILESc1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4ccc(-c5ncc6cnccc6n5)cc4)c32)cc1
InChIInChI=1S/C33H21N5/c1-2-6-25(7-3-1)37-19-17-22-12-15-30-31(32(22)37)27-8-4-5-9-29(27)38(30)26-13-10-23(11-14-26)33-35-21-24-20-34-18-16-28(24)36-33/h1-21H
InChIKeyROVPNTLGAKXJPR-UHFFFAOYSA-N
MW487.57 g/mol
LogP7.73
Rot. Bonds3

About 1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole

1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole (PubChem CID 118317381) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole
PubChem CID118317381
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole
SMILESc1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4ccc(-c5ncc6cnccc6n5)cc4)c32)cc1
InChIInChI=1S/C33H21N5/c1-2-6-25(7-3-1)37-19-17-22-12-15-30-31(32(22)37)27-8-4-5-9-29(27)38(30)26-13-10-23(11-14-26)33-35-21-24-20-34-18-16-28(24)36-33/h1-21H
InChIKeyROVPNTLGAKXJPR-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-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118317252
6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole
CID 123895794
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
CID 118317393
3-phenyl-6-[3-[4-(2-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-c]carbazole;1-phenyl-6-pyrido[4,3-d]pyrimidin-2-ylpyrrolo[3,2-c]carbazole;1-phenyl-6-quinazolin-2-ylpyrrolo[3,2-c]carbazole
CID 159215097
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
3-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-b]carbazole
CID 118317283
1-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-b]carbazole
CID 90062799
6-phenyl-1-(5-phenyl-2-pyridinyl)pyrrolo[3,2-c]carbazole
CID 135264353
1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole
CID 118317506
3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 90062451
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]aniline
CID 118315359
1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
CID 118317427

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole?
The IUPAC name of 1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole (CID 118317381) is 1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole.
What is the SMILES notation for 1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole?
The canonical SMILES for 1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole is c1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4ccc(-c5ncc6cnccc6n5)cc4)c32)cc1.
What is the InChIKey of 1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole?
The InChIKey is ROVPNTLGAKXJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-2-6-25(7-3-1)37-19-17-22-12-15-30-31(32(22)37)27-8-4-5-9-29(27)38(30)26-13-10-23(11-14-26)33-35-21-24-20-34-18-16-28(24)36-33/h1-21H.
What are the key properties of 1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole?
1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]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-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole is sourced from PubChem (CID 118317381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).