3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline

C37H26N2 — CID 155465499

IUPAC3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline
SMILESCC1(C)c2ccccc2-c2c1ccc1cc(-c3nc4ccc5ccccc5c4nc3-c3ccccc3)ccc21
InChIInChI=1S/C37H26N2/c1-37(2)30-15-9-8-14-29(30)33-27-19-16-26(22-25(27)17-20-31(33)37)35-34(24-11-4-3-5-12-24)39-36-28-13-7-6-10-23(28)18-21-32(36)38-35/h3-22H,1-2H3
InChIKeyMAFINNHZDDFPEY-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.58
Rot. Bonds2

About 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline

3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline (PubChem CID 155465499) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline.

Molecular Properties

Compound Name3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline
PubChem CID155465499
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline
SMILESCC1(C)c2ccccc2-c2c1ccc1cc(-c3nc4ccc5ccccc5c4nc3-c3ccccc3)ccc21
InChIInChI=1S/C37H26N2/c1-37(2)30-15-9-8-14-29(30)33-27-19-16-26(22-25(27)17-20-31(33)37)35-34(24-11-4-3-5-12-24)39-36-28-13-7-6-10-23(28)18-21-32(36)38-35/h3-22H,1-2H3
InChIKeyMAFINNHZDDFPEY-UHFFFAOYSA-N
XLogP9.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline 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-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-3-phenylbenzo[f]quinoxaline
CID 164721653
2-(11,11-dimethylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline;3-(11,11-diphenylbenzo[b]fluoren-8-yl)-2-phenylbenzo[f]quinoxaline;2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylquinoxaline
CID 161218140
2-(6',6'-dimethylspiro[adamantane-2,12'-indeno[1,2-b]fluorene]-3'-yl)-3-phenylbenzo[f]quinoxaline
CID 168834550
2-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-3-phenylquinoxaline
CID 164721534
2-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-3-phenylquinoxaline
CID 164721777
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline
CID 155465596
2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 159386432
3-phenyl-2-(9,9,10,10-tetramethylphenanthren-1-yl)benzo[f]quinoxaline
CID 163468133

Frequently Asked Questions

What is the IUPAC name of 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline?
The IUPAC name of 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline (CID 155465499) is 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline.
What is the SMILES notation for 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline?
The canonical SMILES for 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline is CC1(C)c2ccccc2-c2c1ccc1cc(-c3nc4ccc5ccccc5c4nc3-c3ccccc3)ccc21.
What is the InChIKey of 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline?
The InChIKey is MAFINNHZDDFPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-37(2)30-15-9-8-14-29(30)33-27-19-16-26(22-25(27)17-20-31(33)37)35-34(24-11-4-3-5-12-24)39-36-28-13-7-6-10-23(28)18-21-32(36)38-35/h3-22H,1-2H3.
What are the key properties of 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline?
3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline has a molecular weight of 498.63 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline is sourced from PubChem (CID 155465499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).