4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline

C40H30N2 — CID 159320762

IUPAC4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline
SMILESCN1C=CC(C2c3ccccc3-c3ccccc32)=c2cc3c(cc21)=C(C1c2ccccc2-c2ccccc21)C=CN3C
InChIInChI=1S/C40H30N2/c1-41-21-19-33(39-29-15-7-3-11-25(29)26-12-4-8-16-30(26)39)35-24-38-36(23-37(35)41)34(20-22-42(38)2)40-31-17-9-5-13-27(31)28-14-6-10-18-32(28)40/h3-24,39-40H,1-2H3
InChIKeyOWYKINQCLRPWHA-UHFFFAOYSA-N
MW538.69 g/mol
LogP7.54
Rot. Bonds2

About 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline

4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline (PubChem CID 159320762) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline.

Molecular Properties

Compound Name4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline
PubChem CID159320762
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline
SMILESCN1C=CC(C2c3ccccc3-c3ccccc32)=c2cc3c(cc21)=C(C1c2ccccc2-c2ccccc21)C=CN3C
InChIInChI=1S/C40H30N2/c1-41-21-19-33(39-29-15-7-3-11-25(29)26-12-4-8-16-30(26)39)35-24-38-36(23-37(35)41)34(20-22-42(38)2)40-31-17-9-5-13-27(31)28-14-6-10-18-32(28)40/h3-24,39-40H,1-2H3
InChIKeyOWYKINQCLRPWHA-UHFFFAOYSA-N
XLogP7.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-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 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline?
The IUPAC name of 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline (CID 159320762) is 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline.
What is the SMILES notation for 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline?
The canonical SMILES for 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline is CN1C=CC(C2c3ccccc3-c3ccccc32)=c2cc3c(cc21)=C(C1c2ccccc2-c2ccccc21)C=CN3C.
What is the InChIKey of 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline?
The InChIKey is OWYKINQCLRPWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-41-21-19-33(39-29-15-7-3-11-25(29)26-12-4-8-16-30(26)39)35-24-38-36(23-37(35)41)34(20-22-42(38)2)40-31-17-9-5-13-27(31)28-14-6-10-18-32(28)40/h3-24,39-40H,1-2H3.
What are the key properties of 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline?
4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline has a molecular weight of 538.69 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis(9H-fluoren-9-yl)-1,6-dimethylpyrido[2,3-g]quinoline is sourced from PubChem (CID 159320762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).