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

C126H89N5 — CID 160917226

IUPAC5-(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
SMILESCC1(C)c2cc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3cccc4nc(-c5ccccc5)c(-c5ccccc5)nc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C44H31N.C43H30N2.C39H28N2/c1-44(2)40-26-35(21-22-36(40)39-24-32-11-5-6-12-33(32)25-41(39)44)38-27-43(45-42-14-8-7-13-37(38)42)30-18-15-29(16-19-30)34-20-17-28-9-3-4-10-31(28)23-34;1-43(2)37-26-34(21-22-35(37)36-24-31-11-5-6-12-32(31)25-38(36)43)42-41(44-39-13-7-8-14-40(39)45-42)29-18-15-28(16-19-29)33-20-17-27-9-3-4-10-30(27)23-33;1-39(2)33-24-29(20-21-31(33)32-22-27-16-9-10-17-28(27)23-34(32)39)30-18-11-19-35-38(30)41-37(26-14-7-4-8-15-26)36(40-35)25-12-5-3-6-13-25/h3-27H,1-2H3;3-26H,1-2H3;3-24H,1-2H3
InChIKeySROFUQONTKBSJW-UHFFFAOYSA-N
MW1673.13 g/mol
LogP33.18
Rot. Bonds9

About 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

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 (PubChem CID 160917226) has the molecular formula C126H89N5 and a molecular weight of 1673.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID160917226
Molecular FormulaC126H89N5
Molecular Weight1673.13 g/mol
Exact Mass1671.71
IUPAC Name5-(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
SMILESCC1(C)c2cc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3cccc4nc(-c5ccccc5)c(-c5ccccc5)nc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C44H31N.C43H30N2.C39H28N2/c1-44(2)40-26-35(21-22-36(40)39-24-32-11-5-6-12-33(32)25-41(39)44)38-27-43(45-42-14-8-7-13-37(38)42)30-18-15-29(16-19-30)34-20-17-28-9-3-4-10-31(28)23-34;1-43(2)37-26-34(21-22-35(37)36-24-31-11-5-6-12-32(31)25-38(36)43)42-41(44-39-13-7-8-14-40(39)45-42)29-18-15-28(16-19-29)33-20-17-27-9-3-4-10-30(27)23-33;1-39(2)33-24-29(20-21-31(33)32-22-27-16-9-10-17-28(27)23-34(32)39)30-18-11-19-35-38(30)41-37(26-14-7-4-8-15-26)36(40-35)25-12-5-3-6-13-25/h3-27H,1-2H3;3-26H,1-2H3;3-24H,1-2H3
InChIKeySROFUQONTKBSJW-UHFFFAOYSA-N
XLogP33.18
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001673.13
LogP ≤ 533.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

2-[4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168777582
5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 146334552
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
2,3-bis(3-phenylphenyl)quinoxaline;2,3-bis(4-phenylphenyl)quinoxaline;5-(3,5-dinaphthalen-2-ylphenyl)-2,3-diphenylquinoxaline;5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 159465562
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777428
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168777339
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(3-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 168779898
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 168779406
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(2-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778246
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168779978
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3cccc4nc(-c5ccccc5)c(-c5ccccc5)nc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 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?
The InChIKey is SROFUQONTKBSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N.C43H30N2.C39H28N2/c1-44(2)40-26-35(21-22-36(40)39-24-32-11-5-6-12-33(32)25-41(39)44)38-27-43(45-42-14-8-7-13-37(38)42)30-18-15-29(16-19-30)34-20-17-28-9-3-4-10-31(28)23-34;1-43(2)37-26-34(21-22-35(37)36-24-31-11-5-6-12-32(31)25-38(36)43)42-41(44-39-13-7-8-14-40(39)45-42)29-18-15-28(16-19-29)33-20-17-27-9-3-4-10-30(27)23-33;1-39(2)33-24-29(20-21-31(33)32-22-27-16-9-10-17-28(27)23-34(32)39)30-18-11-19-35-38(30)41-37(26-14-7-4-8-15-26)36(40-35)25-12-5-3-6-13-25/h3-27H,1-2H3;3-26H,1-2H3;3-24H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1673.13 g/mol, XLogP of 33.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160917226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).