4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline

C45H31ClN4 — CID 146594805

IUPAC4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(Cl)cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)nc3cc21
InChIInChI=1S/C45H31ClN4/c1-45(2)37-22-10-9-21-34(37)35-25-36-39(46)27-40(47-41(36)26-38(35)45)32-19-11-17-30(23-32)31-18-12-20-33(24-31)44-49-42(28-13-5-3-6-14-28)48-43(50-44)29-15-7-4-8-16-29/h3-27H,1-2H3
InChIKeyNRXOLVPNFIUDIA-UHFFFAOYSA-N
MW663.22 g/mol
LogP11.71
Rot. Bonds5

About 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline

4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline (PubChem CID 146594805) has the molecular formula C45H31ClN4 and a molecular weight of 663.22 g/mol. Its IUPAC name is 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline
PubChem CID146594805
Molecular FormulaC45H31ClN4
Molecular Weight663.22 g/mol
Exact Mass662.22
IUPAC Name4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(Cl)cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)nc3cc21
InChIInChI=1S/C45H31ClN4/c1-45(2)37-22-10-9-21-34(37)35-25-36-39(46)27-40(47-41(36)26-38(35)45)32-19-11-17-30(23-32)31-18-12-20-33(24-31)44-49-42(28-13-5-3-6-14-28)48-43(50-44)29-15-7-4-8-16-29/h3-27H,1-2H3
InChIKeyNRXOLVPNFIUDIA-UHFFFAOYSA-N
XLogP11.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.22
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline?
The IUPAC name of 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline (CID 146594805) is 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline.
What is the SMILES notation for 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline?
The canonical SMILES for 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(Cl)cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)nc3cc21.
What is the InChIKey of 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline?
The InChIKey is NRXOLVPNFIUDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31ClN4/c1-45(2)37-22-10-9-21-34(37)35-25-36-39(46)27-40(47-41(36)26-38(35)45)32-19-11-17-30(23-32)31-18-12-20-33(24-31)44-49-42(28-13-5-3-6-14-28)48-43(50-44)29-15-7-4-8-16-29/h3-27H,1-2H3.
What are the key properties of 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline?
4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline has a molecular weight of 663.22 g/mol, XLogP of 11.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylindeno[1,2-g]quinoline is sourced from PubChem (CID 146594805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).