9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole

C50H32N6 — CID 163771254

IUPAC9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccncc65)cc(-n5c6ccccc6c6ccncc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C50H32N6/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)44-30-45(54-50(53-44)36-13-5-2-6-14-36)37-27-38(55-46-17-9-7-15-40(46)42-23-25-51-31-48(42)55)29-39(28-37)56-47-18-10-8-16-41(47)43-24-26-52-32-49(43)56/h1-32H
InChIKeyMGQDOANQNYPXFY-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

About 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole

9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole (PubChem CID 163771254) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
PubChem CID163771254
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccncc65)cc(-n5c6ccccc6c6ccncc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C50H32N6/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)44-30-45(54-50(53-44)36-13-5-2-6-14-36)37-27-38(55-46-17-9-7-15-40(46)42-23-25-51-31-48(42)55)29-39(28-37)56-47-18-10-8-16-41(47)43-24-26-52-32-49(43)56/h1-32H
InChIKeyMGQDOANQNYPXFY-UHFFFAOYSA-N
XLogP12.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole 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

9-[9-[3-[3,6-bis(pyrido[3,4-b]indol-9-yl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-pyrido[3,4-b]indol-9-ylcarbazol-3-yl]pyrido[3,4-b]indole
CID 151501628
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]pyrido[3,4-b]indole;9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159798097
9-[3-carbazol-9-yl-5-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 168836039
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422929
9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole
CID 155195850
9-[3-bromo-5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155195933
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 161004929

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole (CID 163771254) is 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole is c1ccc(-c2ccc(-c3cc(-c4cc(-n5c6ccccc6c6ccncc65)cc(-n5c6ccccc6c6ccncc65)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
The InChIKey is MGQDOANQNYPXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)44-30-45(54-50(53-44)36-13-5-2-6-14-36)37-27-38(55-46-17-9-7-15-40(46)42-23-25-51-31-48(42)55)29-39(28-37)56-47-18-10-8-16-41(47)43-24-26-52-32-49(43)56/h1-32H.
What are the key properties of 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole?
9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 163771254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).