10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one

C41H27N3O — CID 155281474

IUPAC10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one
SMILESO=C1c2ccccc2C(c2ccccc2)(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C41H27N3O/c45-37-31-22-10-13-25-34(31)41(30-20-8-3-9-21-30,35-26-14-11-23-32(35)37)36-27-15-12-24-33(36)40-43-38(28-16-4-1-5-17-28)42-39(44-40)29-18-6-2-7-19-29/h1-27H
InChIKeyGMEGKUOILSZMLY-UHFFFAOYSA-N
MW577.69 g/mol
LogP8.80
Rot. Bonds5

About 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one

10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one (PubChem CID 155281474) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one.

Molecular Properties

Compound Name10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one
PubChem CID155281474
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one
SMILESO=C1c2ccccc2C(c2ccccc2)(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C41H27N3O/c45-37-31-22-10-13-25-34(31)41(30-20-8-3-9-21-30,35-26-14-11-23-32(35)37)36-27-15-12-24-33(36)40-43-38(28-16-4-1-5-17-28)42-39(44-40)29-18-6-2-7-19-29/h1-27H
InChIKeyGMEGKUOILSZMLY-UHFFFAOYSA-N
XLogP8.80
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one
CID 158070699
10-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenylanthracen-9-one
CID 155281653
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylanthracen-9-one
CID 155281518
2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416348
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 137393205
10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one
CID 161397608
10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one
CID 88886351
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 155765178
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one?
The IUPAC name of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one (CID 155281474) is 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one.
What is the SMILES notation for 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one?
The canonical SMILES for 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one is O=C1c2ccccc2C(c2ccccc2)(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one?
The InChIKey is GMEGKUOILSZMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c45-37-31-22-10-13-25-34(31)41(30-20-8-3-9-21-30,35-26-14-11-23-32(35)37)36-27-15-12-24-33(36)40-43-38(28-16-4-1-5-17-28)42-39(44-40)29-18-6-2-7-19-29/h1-27H.
What are the key properties of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one?
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one has a molecular weight of 577.69 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylanthracen-9-one is sourced from PubChem (CID 155281474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).