2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C126H85N9O3 — CID 159636091

IUPAC2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c2)cc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2nc(-c4ccccc4)nc(-c4cc5ccccc5c5ccccc45)n2)cc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2nc(-c4ccccc4)nc(-c4cccc5ccccc45)n2)cc13
InChIInChI=1S/C44H29N3O.C42H29N3O.C40H27N3O/c1-44(2)37-19-11-10-18-32(37)33-24-35-34-23-28(20-21-39(34)48-40(35)25-38(33)44)42-45-41(26-12-4-3-5-13-26)46-43(47-42)36-22-27-14-6-7-15-29(27)30-16-8-9-17-31(30)36;1-42(2)35-19-10-9-18-31(35)32-24-34-33-23-29(20-21-37(33)46-38(34)25-36(32)42)28-16-11-17-30(22-28)41-44-39(26-12-5-3-6-13-26)43-40(45-41)27-14-7-4-8-15-27;1-40(2)33-18-9-8-16-28(33)30-22-32-31-21-26(19-20-35(31)44-36(32)23-34(30)40)38-41-37(25-12-4-3-5-13-25)42-39(43-38)29-17-10-14-24-11-6-7-15-27(24)29/h3-25H,1-2H3;3-25H,1-2H3;3-23H,1-2H3
InChIKeyMPTKXSVVGOWUJA-UHFFFAOYSA-N
MW1773.13 g/mol
LogP32.36
Rot. Bonds10

About 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159636091) has the molecular formula C126H85N9O3 and a molecular weight of 1773.13 g/mol. Its IUPAC name is 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID159636091
Molecular FormulaC126H85N9O3
Molecular Weight1773.13 g/mol
Exact Mass1771.68
IUPAC Name2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c2)cc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2nc(-c4ccccc4)nc(-c4cc5ccccc5c5ccccc45)n2)cc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2nc(-c4ccccc4)nc(-c4cccc5ccccc45)n2)cc13
InChIInChI=1S/C44H29N3O.C42H29N3O.C40H27N3O/c1-44(2)37-19-11-10-18-32(37)33-24-35-34-23-28(20-21-39(34)48-40(35)25-38(33)44)42-45-41(26-12-4-3-5-13-26)46-43(47-42)36-22-27-14-6-7-15-29(27)30-16-8-9-17-31(30)36;1-42(2)35-19-10-9-18-31(35)32-24-34-33-23-29(20-21-37(33)46-38(34)25-36(32)42)28-16-11-17-30(22-28)41-44-39(26-12-5-3-6-13-26)43-40(45-41)27-14-7-4-8-15-27;1-40(2)33-18-9-8-16-28(33)30-22-32-31-21-26(19-20-35(31)44-36(32)23-34(30)40)38-41-37(25-12-4-3-5-13-25)42-39(43-38)29-17-10-14-24-11-6-7-15-27(24)29/h3-25H,1-2H3;3-25H,1-2H3;3-23H,1-2H3
InChIKeyMPTKXSVVGOWUJA-UHFFFAOYSA-N
XLogP32.36
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.13
LogP ≤ 532.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907263
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159465808
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 140907327
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946336
2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465363
2-dibenzofuran-2-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602383
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 130233115
2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465629
2-(9,9-dimethylfluoren-3-yl)-4-[3-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134199124
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 176818482

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159636091) is 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c2)cc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2nc(-c4ccccc4)nc(-c4cc5ccccc5c5ccccc45)n2)cc13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1ccc(-c2nc(-c4ccccc4)nc(-c4cccc5ccccc45)n2)cc13.
What is the InChIKey of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MPTKXSVVGOWUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O.C42H29N3O.C40H27N3O/c1-44(2)37-19-11-10-18-32(37)33-24-35-34-23-28(20-21-39(34)48-40(35)25-38(33)44)42-45-41(26-12-4-3-5-13-26)46-43(47-42)36-22-27-14-6-7-15-29(27)30-16-8-9-17-31(30)36;1-42(2)35-19-10-9-18-31(35)32-24-34-33-23-29(20-21-37(33)46-38(34)25-36(32)42)28-16-11-17-30(22-28)41-44-39(26-12-5-3-6-13-26)43-40(45-41)27-14-7-4-8-15-27;1-40(2)33-18-9-8-16-28(33)30-22-32-31-21-26(19-20-35(31)44-36(32)23-34(30)40)38-41-37(25-12-4-3-5-13-25)42-39(43-38)29-17-10-14-24-11-6-7-15-27(24)29/h3-25H,1-2H3;3-25H,1-2H3;3-23H,1-2H3.
What are the key properties of 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1773.13 g/mol, XLogP of 32.36, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159636091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).