6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole

C29H19N5 — CID 123895794

IUPAC6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)ccn4-c2cnc(-c3cccnc3)nc2)cc1
InChIInChI=1S/C29H19N5/c1-2-8-22(9-3-1)34-25-11-5-4-10-24(25)27-26(34)13-12-20-14-16-33(28(20)27)23-18-31-29(32-19-23)21-7-6-15-30-17-21/h1-19H
InChIKeyXLHNIZUVSREMBV-UHFFFAOYSA-N
MW437.51 g/mol
LogP6.58
Rot. Bonds3

About 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole

6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole (PubChem CID 123895794) has the molecular formula C29H19N5 and a molecular weight of 437.51 g/mol. Its IUPAC name is 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole
PubChem CID123895794
Molecular FormulaC29H19N5
Molecular Weight437.51 g/mol
Exact Mass437.16
IUPAC Name6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)ccn4-c2cnc(-c3cccnc3)nc2)cc1
InChIInChI=1S/C29H19N5/c1-2-8-22(9-3-1)34-25-11-5-4-10-24(25)27-26(34)13-12-20-14-16-33(28(20)27)23-18-31-29(32-19-23)21-7-6-15-30-17-21/h1-19H
InChIKeyXLHNIZUVSREMBV-UHFFFAOYSA-N
XLogP6.58
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 56.58
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
6-phenyl-3-(2-phenylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
CID 123906057
7-phenyl-14-(2-pyridin-3-ylpyrimidin-5-yl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223583
6-phenyl-1-(5-phenyl-2-pyridinyl)pyrrolo[3,2-c]carbazole
CID 135264353
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
4-phenyl-14-(4-phenylisoquinolin-1-yl)-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 90223300
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-14-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 90223028
14-[3-(4,6-dipyridin-2-ylpyrimidin-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 90222961
7-phenyl-14-(4-pyridin-3-ylphenyl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223627
1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole
CID 118317506
6-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90222773
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 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole?
The IUPAC name of 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole (CID 123895794) is 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole.
What is the SMILES notation for 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole?
The canonical SMILES for 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c4c(ccc32)ccn4-c2cnc(-c3cccnc3)nc2)cc1.
What is the InChIKey of 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole?
The InChIKey is XLHNIZUVSREMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N5/c1-2-8-22(9-3-1)34-25-11-5-4-10-24(25)27-26(34)13-12-20-14-16-33(28(20)27)23-18-31-29(32-19-23)21-7-6-15-30-17-21/h1-19H.
What are the key properties of 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole?
6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole has a molecular weight of 437.51 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole is sourced from PubChem (CID 123895794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).