3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one

C124H77N11O6 — CID 159976214

IUPAC3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one
SMILESO=c1oc2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc2c2ccccc12.O=c1oc2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc12.O=c1oc2ccccc2c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc12
InChIInChI=1S/C55H34N6O2.C35H22N2O2.C34H21N3O2/c62-55-47-33-41(39-23-13-25-43(31-39)53-58-49(35-15-5-1-6-16-35)56-50(59-53)36-17-7-2-8-18-36)27-29-45(47)46-30-28-42(34-48(46)63-55)40-24-14-26-44(32-40)54-60-51(37-19-9-3-10-20-37)57-52(61-54)38-21-11-4-12-22-38;38-35-30-21-26(18-19-28(30)29-16-7-8-17-33(29)39-35)25-14-9-15-27(20-25)32-22-31(23-10-3-1-4-11-23)36-34(37-32)24-12-5-2-6-13-24;38-34-29-18-8-7-17-27(29)28-20-10-19-26(30(28)39-34)24-15-9-16-25(21-24)33-36-31(22-11-3-1-4-12-22)35-32(37-33)23-13-5-2-6-14-23/h1-34H;1-22H;1-21H
InChIKeyOFEQOVRGFAAHMY-UHFFFAOYSA-N
MW1817.05 g/mol
LogP28.86
Rot. Bonds16

About 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one

3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one (PubChem CID 159976214) has the molecular formula C124H77N11O6 and a molecular weight of 1817.05 g/mol. Its IUPAC name is 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one.

Molecular Properties

Compound Name3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one
PubChem CID159976214
Molecular FormulaC124H77N11O6
Molecular Weight1817.05 g/mol
Exact Mass1815.61
IUPAC Name3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one
SMILESO=c1oc2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc2c2ccccc12.O=c1oc2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc12.O=c1oc2ccccc2c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc12
InChIInChI=1S/C55H34N6O2.C35H22N2O2.C34H21N3O2/c62-55-47-33-41(39-23-13-25-43(31-39)53-58-49(35-15-5-1-6-16-35)56-50(59-53)36-17-7-2-8-18-36)27-29-45(47)46-30-28-42(34-48(46)63-55)40-24-14-26-44(32-40)54-60-51(37-19-9-3-10-20-37)57-52(61-54)38-21-11-4-12-22-38;38-35-30-21-26(18-19-28(30)29-16-7-8-17-33(29)39-35)25-14-9-15-27(20-25)32-22-31(23-10-3-1-4-11-23)36-34(37-32)24-12-5-2-6-13-24;38-34-29-18-8-7-17-27(29)28-20-10-19-26(30(28)39-34)24-15-9-16-25(21-24)33-36-31(22-11-3-1-4-12-22)35-32(37-33)23-13-5-2-6-14-23/h1-34H;1-22H;1-21H
InChIKeyOFEQOVRGFAAHMY-UHFFFAOYSA-N
XLogP28.86
TPSA232.42 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001817.05
LogP ≤ 528.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613592
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2,4-diphenyl-6-[6-(6-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158797660
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 171585514
2-dibenzofuran-3-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146431709
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665

Frequently Asked Questions

What is the IUPAC name of 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one?
The IUPAC name of 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one (CID 159976214) is 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one.
What is the SMILES notation for 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one?
The canonical SMILES for 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one is O=c1oc2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cccc2c2ccccc12.O=c1oc2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc12.O=c1oc2ccccc2c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc12.
What is the InChIKey of 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one?
The InChIKey is OFEQOVRGFAAHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N6O2.C35H22N2O2.C34H21N3O2/c62-55-47-33-41(39-23-13-25-43(31-39)53-58-49(35-15-5-1-6-16-35)56-50(59-53)36-17-7-2-8-18-36)27-29-45(47)46-30-28-42(34-48(46)63-55)40-24-14-26-44(32-40)54-60-51(37-19-9-3-10-20-37)57-52(61-54)38-21-11-4-12-22-38;38-35-30-21-26(18-19-28(30)29-16-7-8-17-33(29)39-35)25-14-9-15-27(20-25)32-22-31(23-10-3-1-4-11-23)36-34(37-32)24-12-5-2-6-13-24;38-34-29-18-8-7-17-27(29)28-20-10-19-26(30(28)39-34)24-15-9-16-25(21-24)33-36-31(22-11-3-1-4-12-22)35-32(37-33)23-13-5-2-6-14-23/h1-34H;1-22H;1-21H.
What are the key properties of 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one?
3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one has a molecular weight of 1817.05 g/mol, XLogP of 28.86, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one;8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[c]chromen-6-one;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]chromen-6-one is sourced from PubChem (CID 159976214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).