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

C127H84N6 — CID 161218140

IUPAC2-(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
SMILESCC1(C)c2ccccc2-c2cc3ccc(-c4nc5c(ccc6ccccc65)nc4-c4ccccc4)cc3cc21.c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C47H30N2.C43H28N2.C37H26N2/c1-4-15-32(16-5-1)44-45(48-43-27-26-31-14-10-11-21-38(31)46(43)49-44)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;1-4-14-29(15-5-1)41-42(45-40-23-13-12-22-39(40)44-41)31-25-24-30-27-36-35-20-10-11-21-37(35)43(33-16-6-2-7-17-33,34-18-8-3-9-19-34)38(36)28-32(30)26-31;1-37(2)31-15-9-8-14-29(31)30-21-25-16-17-26(20-27(25)22-32(30)37)35-34(24-11-4-3-5-12-24)38-33-19-18-23-10-6-7-13-28(23)36(33)39-35/h1-30H;1-28H;3-22H,1-2H3
InChIKeyUXDLMPTZZUXPIY-UHFFFAOYSA-N
MW1694.11 g/mol
LogP31.69
Rot. Bonds10

About 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

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 (PubChem CID 161218140) has the molecular formula C127H84N6 and a molecular weight of 1694.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID161218140
Molecular FormulaC127H84N6
Molecular Weight1694.11 g/mol
Exact Mass1692.68
IUPAC Name2-(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
SMILESCC1(C)c2ccccc2-c2cc3ccc(-c4nc5c(ccc6ccccc65)nc4-c4ccccc4)cc3cc21.c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C47H30N2.C43H28N2.C37H26N2/c1-4-15-32(16-5-1)44-45(48-43-27-26-31-14-10-11-21-38(31)46(43)49-44)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;1-4-14-29(15-5-1)41-42(45-40-23-13-12-22-39(40)44-41)31-25-24-30-27-36-35-20-10-11-21-37(35)43(33-16-6-2-7-17-33,34-18-8-3-9-19-34)38(36)28-32(30)26-31;1-37(2)31-15-9-8-14-29(31)30-21-25-16-17-26(20-27(25)22-32(30)37)35-34(24-11-4-3-5-12-24)38-33-19-18-23-10-6-7-13-28(23)36(33)39-35/h1-30H;1-28H;3-22H,1-2H3
InChIKeyUXDLMPTZZUXPIY-UHFFFAOYSA-N
XLogP31.69
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001694.11
LogP ≤ 531.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 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-(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
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
3-(7,7-dimethylbenzo[c]fluoren-3-yl)-2-phenylbenzo[f]quinoxaline
CID 155465499
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
3-(11,11-diphenylbenzo[b]fluoren-7-yl)-1-phenylbenzo[f]quinazoline
CID 155465505
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
5-(11,11-dimethylbenzo[b]fluoren-2-yl)-2,3-diphenylquinoxaline;4-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-(4-naphthalen-2-ylphenyl)quinoline;2-(11,11-dimethylbenzo[b]fluoren-2-yl)-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 160917226
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-[3-(11,11-dimethylbenzo[b]fluoren-8-yl)phenyl]-1-phenylbenzo[f]quinazoline
CID 155465595
2-(6',6'-dimethylspiro[adamantane-2,12'-indeno[1,2-b]fluorene]-3'-yl)-3-phenylbenzo[f]quinoxaline
CID 168834550

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3ccc(-c4nc5c(ccc6ccccc65)nc4-c4ccccc4)cc3cc21.c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc3cc4c(cc3c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.
What is the InChIKey of 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?
The InChIKey is UXDLMPTZZUXPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2.C43H28N2.C37H26N2/c1-4-15-32(16-5-1)44-45(48-43-27-26-31-14-10-11-21-38(31)46(43)49-44)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;1-4-14-29(15-5-1)41-42(45-40-23-13-12-22-39(40)44-41)31-25-24-30-27-36-35-20-10-11-21-37(35)43(33-16-6-2-7-17-33,34-18-8-3-9-19-34)38(36)28-32(30)26-31;1-37(2)31-15-9-8-14-29(31)30-21-25-16-17-26(20-27(25)22-32(30)37)35-34(24-11-4-3-5-12-24)38-33-19-18-23-10-6-7-13-28(23)36(33)39-35/h1-30H;1-28H;3-22H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1694.11 g/mol, XLogP of 31.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161218140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).