9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline

C38H27N3 — CID 156574290

IUPAC9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(-c6ccccc6)nc(-c6ccccc6)nc5c4n3)cc21
InChIInChI=1S/C38H27N3/c1-38(2)31-16-10-9-15-28(31)29-20-18-27(23-32(29)38)33-22-19-25-17-21-30-34(24-11-5-3-6-12-24)40-37(26-13-7-4-8-14-26)41-36(30)35(25)39-33/h3-23H,1-2H3
InChIKeyNLGNWBUBJZUPEG-UHFFFAOYSA-N
MW525.66 g/mol
LogP9.49
Rot. Bonds3

About 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline

9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline (PubChem CID 156574290) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline
PubChem CID156574290
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(-c6ccccc6)nc(-c6ccccc6)nc5c4n3)cc21
InChIInChI=1S/C38H27N3/c1-38(2)31-16-10-9-15-28(31)29-20-18-27(23-32(29)38)33-22-19-25-17-21-30-34(24-11-5-3-6-12-24)40-37(26-13-7-4-8-14-26)41-36(30)35(25)39-33/h3-23H,1-2H3
InChIKeyNLGNWBUBJZUPEG-UHFFFAOYSA-N
XLogP9.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline 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

2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,9-diphenyl-1,10-phenanthroline
CID 165384497
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-[4-phenyl-2-(3-pyridin-3-ylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167701
2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline
CID 156577333
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167628
9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-pyridin-2-ylpyrimidin-2-yl]phenyl]-2,4-diphenylbenzo[h]quinazoline
CID 147835718
2-(9,9-dimethylfluoren-2-yl)-9-(3-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167401
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 134167658
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;6,12-dinaphthalen-2-ylchrysene
CID 160803999
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 158744831
6-(9,9-dimethylfluoren-2-yl)-2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-phenylpyridine
CID 58881124

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline (CID 156574290) is 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(-c6ccccc6)nc(-c6ccccc6)nc5c4n3)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline?
The InChIKey is NLGNWBUBJZUPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3/c1-38(2)31-16-10-9-15-28(31)29-20-18-27(23-32(29)38)33-22-19-25-17-21-30-34(24-11-5-3-6-12-24)40-37(26-13-7-4-8-14-26)41-36(30)35(25)39-33/h3-23H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline?
9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline has a molecular weight of 525.66 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 156574290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).