2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline

C43H28N2 — CID 155465410

IUPAC2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2cccc3cc4c(cc23)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H28N2/c1-4-15-29(16-5-1)41-42(45-40-26-13-12-25-39(40)44-41)34-23-14-17-30-27-38-36(28-35(30)34)33-22-10-11-24-37(33)43(38,31-18-6-2-7-19-31)32-20-8-3-9-21-32/h1-28H
InChIKeyIDQZXJISMAZZGC-UHFFFAOYSA-N
MW572.71 g/mol
LogP10.48
Rot. Bonds4

About 2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline

2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline (PubChem CID 155465410) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline
PubChem CID155465410
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2cccc3cc4c(cc23)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H28N2/c1-4-15-29(16-5-1)41-42(45-40-26-13-12-25-39(40)44-41)34-23-14-17-30-27-38-36(28-35(30)34)33-22-10-11-24-37(33)43(38,31-18-6-2-7-19-31)32-20-8-3-9-21-32/h1-28H
InChIKeyIDQZXJISMAZZGC-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

6-(11,11-diphenylbenzo[b]fluoren-6-yl)-2,4-diphenylquinazoline
CID 154589173
2-(11,11-diphenylbenzo[b]fluoren-5-yl)-3-phenylquinoxaline
CID 149393432
21-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129124319
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
3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline
CID 155465522
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-[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-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
10,10-diphenyl-14-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-14-[4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159106365
10,10-diphenyl-21-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159098065
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

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline?
The IUPAC name of 2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline (CID 155465410) is 2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline?
The canonical SMILES for 2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline is c1ccc(-c2nc3ccccc3nc2-c2cccc3cc4c(cc23)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline?
The InChIKey is IDQZXJISMAZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-4-15-29(16-5-1)41-42(45-40-26-13-12-25-39(40)44-41)34-23-14-17-30-27-38-36(28-35(30)34)33-22-10-11-24-37(33)43(38,31-18-6-2-7-19-31)32-20-8-3-9-21-32/h1-28H.
What are the key properties of 2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline?
2-(11,11-diphenylbenzo[b]fluoren-6-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-6-yl)-3-phenylquinoxaline is sourced from PubChem (CID 155465410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).