2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline

C47H30N2 — CID 155465596

IUPAC2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline
SMILESc1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C47H30N2/c1-4-15-32(16-5-1)44-45(49-46-38-21-11-10-14-31(38)26-27-43(46)48-44)34-25-24-33-29-40-39-22-12-13-23-41(39)47(36-17-6-2-7-18-36,37-19-8-3-9-20-37)42(40)30-35(33)28-34/h1-30H
InChIKeySKZBBYWAIUHOEV-UHFFFAOYSA-N
MW622.77 g/mol
LogP11.63
Rot. Bonds4

About 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline

2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline (PubChem CID 155465596) has the molecular formula C47H30N2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline
PubChem CID155465596
Molecular FormulaC47H30N2
Molecular Weight622.77 g/mol
Exact Mass622.24
IUPAC Name2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline
SMILESc1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C47H30N2/c1-4-15-32(16-5-1)44-45(49-46-38-21-11-10-14-31(38)26-27-43(46)48-44)34-25-24-33-29-40-39-22-12-13-23-41(39)47(36-17-6-2-7-18-36,37-19-8-3-9-20-37)42(40)30-35(33)28-34/h1-30H
InChIKeySKZBBYWAIUHOEV-UHFFFAOYSA-N
XLogP11.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline
CID 155465522
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
3-(11,11-diphenylbenzo[b]fluoren-7-yl)-1-phenylbenzo[f]quinazoline
CID 155465505
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline
CID 157197876
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]-3-phenylquinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline
CID 161422576
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 155465716
2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline
CID 155465410
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 155465469
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
3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline
CID 155465499
4-(4-phenylphenyl)-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylquinazoline
CID 140962173
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline?
The IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline (CID 155465596) is 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline.
What is the SMILES notation for 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline?
The canonical SMILES for 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline is c1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline?
The InChIKey is SKZBBYWAIUHOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2/c1-4-15-32(16-5-1)44-45(49-46-38-21-11-10-14-31(38)26-27-43(46)48-44)34-25-24-33-29-40-39-22-12-13-23-41(39)47(36-17-6-2-7-18-36,37-19-8-3-9-20-37)42(40)30-35(33)28-34/h1-30H.
What are the key properties of 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline?
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline has a molecular weight of 622.77 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline is sourced from PubChem (CID 155465596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).