8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole

C50H36N6 — CID 118945751

IUPAC8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
SMILESC1=CCNC(c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cccc(-n3c4ccc(-c5ccccc5C5=CC=CCN5)cc4c4ncccc43)c2)=C1
InChIInChI=1S/C50H36N6/c1-3-16-39(43-18-5-7-26-51-43)37(14-1)33-22-24-45-41(30-33)49-47(20-10-28-53-49)55(45)35-12-9-13-36(32-35)56-46-25-23-34(31-42(46)50-48(56)21-11-29-54-50)38-15-2-4-17-40(38)44-19-6-8-27-52-44/h1-25,28-32,51-52H,26-27H2
InChIKeyPFUGWUIAOCJTSH-UHFFFAOYSA-N
MW720.88 g/mol
LogP11.01
Rot. Bonds6

About 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole

8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole (PubChem CID 118945751) has the molecular formula C50H36N6 and a molecular weight of 720.88 g/mol. Its IUPAC name is 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
PubChem CID118945751
Molecular FormulaC50H36N6
Molecular Weight720.88 g/mol
Exact Mass720.30
IUPAC Name8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
SMILESC1=CCNC(c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cccc(-n3c4ccc(-c5ccccc5C5=CC=CCN5)cc4c4ncccc43)c2)=C1
InChIInChI=1S/C50H36N6/c1-3-16-39(43-18-5-7-26-51-43)37(14-1)33-22-24-45-41(30-33)49-47(20-10-28-53-49)55(45)35-12-9-13-36(32-35)56-46-25-23-34(31-42(46)50-48(56)21-11-29-54-50)38-15-2-4-17-40(38)44-19-6-8-27-52-44/h1-25,28-32,51-52H,26-27H2
InChIKeyPFUGWUIAOCJTSH-UHFFFAOYSA-N
XLogP11.01
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.88
LogP ≤ 511.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-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

5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
CID 144612501
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 163641051
8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 129259902
8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 88886611
8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 118000291
2-[(Z)-prop-1-enyl]-5-(2-pyridin-2-ylphenyl)-1-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]indol-3-amine
CID 144837100
5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 58370085
8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)-8,9-dihydropyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole
CID 145030995
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
6-(3-pyridin-3-ylphenyl)-9-[3-(8-pyridin-3-ylpyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,4-b]indole
CID 118069035
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 129221860

Frequently Asked Questions

What is the IUPAC name of 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole?
The IUPAC name of 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole (CID 118945751) is 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole is C1=CCNC(c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2cccc(-n3c4ccc(-c5ccccc5C5=CC=CCN5)cc4c4ncccc43)c2)=C1.
What is the InChIKey of 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole?
The InChIKey is PFUGWUIAOCJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N6/c1-3-16-39(43-18-5-7-26-51-43)37(14-1)33-22-24-45-41(30-33)49-47(20-10-28-53-49)55(45)35-12-9-13-36(32-35)56-46-25-23-34(31-42(46)50-48(56)21-11-29-54-50)38-15-2-4-17-40(38)44-19-6-8-27-52-44/h1-25,28-32,51-52H,26-27H2.
What are the key properties of 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole?
8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole has a molecular weight of 720.88 g/mol, XLogP of 11.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(1,2-dihydropyridin-6-yl)phenyl]-5-[3-[8-[2-(1,2-dihydropyridin-6-yl)phenyl]pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 118945751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).