9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole

C38H25N5 — CID 121422859

IUPAC9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cccnc54)cc3)n2)cc1
InChIInChI=1S/C38H25N5/c1-2-8-29(9-3-1)37-41-34(27-16-14-26(15-17-27)30-10-6-22-39-25-30)24-35(42-37)28-18-20-31(21-19-28)43-36-13-5-4-11-32(36)33-12-7-23-40-38(33)43/h1-25H
InChIKeyJZHCFUZOJXAQMP-UHFFFAOYSA-N
MW551.65 g/mol
LogP9.03
Rot. Bonds5

About 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole

9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole (PubChem CID 121422859) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
PubChem CID121422859
Molecular FormulaC38H25N5
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC Name9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cccnc54)cc3)n2)cc1
InChIInChI=1S/C38H25N5/c1-2-8-29(9-3-1)37-41-34(27-16-14-26(15-17-27)30-10-6-22-39-25-30)24-35(42-37)28-18-20-31(21-19-28)43-36-13-5-4-11-32(36)33-12-7-23-40-38(33)43/h1-25H
InChIKeyJZHCFUZOJXAQMP-UHFFFAOYSA-N
XLogP9.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
21-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 121422959
7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 121422958
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221621
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
CID 118587665
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 162011548
9-[3-bromo-5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155195933
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
3-[4-[4-(2,6-dipyridin-3-yl-4-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 164843356

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole (CID 121422859) is 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole is c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cccnc54)cc3)n2)cc1.
What is the InChIKey of 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole?
The InChIKey is JZHCFUZOJXAQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c1-2-8-29(9-3-1)37-41-34(27-16-14-26(15-17-27)30-10-6-22-39-25-30)24-35(42-37)28-18-20-31(21-19-28)43-36-13-5-4-11-32(36)33-12-7-23-40-38(33)43/h1-25H.
What are the key properties of 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole?
9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole has a molecular weight of 551.65 g/mol, XLogP of 9.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 121422859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).