2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline

C43H28N2 — CID 149393432

IUPAC2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2c3c(cc4ccccc24)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C43H28N2/c1-4-16-29(17-5-1)41-42(45-38-27-15-14-26-37(38)44-41)40-33-23-11-10-18-30(33)28-36-39(40)34-24-12-13-25-35(34)43(36,31-19-6-2-7-20-31)32-21-8-3-9-22-32/h1-28H
InChIKeyYNZCZSNKKQZNOA-UHFFFAOYSA-N
MW572.71 g/mol
LogP10.48
Rot. Bonds4

About 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline

2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline (PubChem CID 149393432) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline
PubChem CID149393432
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2c3c(cc4ccccc24)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C43H28N2/c1-4-16-29(17-5-1)41-42(45-38-27-15-14-26-37(38)44-41)40-33-23-11-10-18-30(33)28-36-39(40)34-24-12-13-25-35(34)43(36,31-19-6-2-7-20-31)32-21-8-3-9-22-32/h1-28H
InChIKeyYNZCZSNKKQZNOA-UHFFFAOYSA-N
XLogP10.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500
2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline
CID 155465410
2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146261780
5-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 166034504
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-5-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 163808088
2,4-dinaphthalen-2-yl-6-(5,11,11-triphenylbenzo[b]fluoren-2-yl)-1,3,5-triazine
CID 170411801
21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenyl-20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129124168
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-3-phenylbenzo[f]quinoxaline
CID 155465596
1-[3-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)phenyl]quinoxalin-2-yl]-9-phenylcarbazole
CID 155465753
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
8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 153344900
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

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline?
The IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline (CID 149393432) is 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline?
The canonical SMILES for 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline is c1ccc(-c2nc3ccccc3nc2-c2c3c(cc4ccccc24)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline?
The InChIKey is YNZCZSNKKQZNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-4-16-29(17-5-1)41-42(45-38-27-15-14-26-37(38)44-41)40-33-23-11-10-18-30(33)28-36-39(40)34-24-12-13-25-35(34)43(36,31-19-6-2-7-20-31)32-21-8-3-9-22-32/h1-28H.
What are the key properties of 2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline?
2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline has a molecular weight of 572.71 g/mol, XLogP of 10.48, 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-5-yl)-3-phenylquinoxaline is sourced from PubChem (CID 149393432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).