2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine

C60H43N3O2 — CID 174297442

IUPAC2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine
SMILESCC1CC=CC=C1C1(c2ccccc2)c2ccccc2Oc2c(-c3nc(-c4ccccc4)nc(-c4cccc5c4Oc4ccccc4C5(c4ccccc4)c4ccccc4)n3)cccc21
InChIInChI=1S/C60H43N3O2/c1-40-22-14-15-33-47(40)60(44-29-12-5-13-30-44)49-35-17-19-39-53(49)65-55-46(32-21-37-51(55)60)58-62-56(41-23-6-2-7-24-41)61-57(63-58)45-31-20-36-50-54(45)64-52-38-18-16-34-48(52)59(50,42-25-8-3-9-26-42)43-27-10-4-11-28-43/h2-21,23-40H,22H2,1H3
InChIKeyNJKJTSALARYMTL-UHFFFAOYSA-N
MW838.02 g/mol
LogP14.32
Rot. Bonds7

About 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine

2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine (PubChem CID 174297442) has the molecular formula C60H43N3O2 and a molecular weight of 838.02 g/mol. Its IUPAC name is 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine
PubChem CID174297442
Molecular FormulaC60H43N3O2
Molecular Weight838.02 g/mol
Exact Mass837.34
IUPAC Name2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine
SMILESCC1CC=CC=C1C1(c2ccccc2)c2ccccc2Oc2c(-c3nc(-c4ccccc4)nc(-c4cccc5c4Oc4ccccc4C5(c4ccccc4)c4ccccc4)n3)cccc21
InChIInChI=1S/C60H43N3O2/c1-40-22-14-15-33-47(40)60(44-29-12-5-13-30-44)49-35-17-19-39-53(49)65-55-46(32-21-37-51(55)60)58-62-56(41-23-6-2-7-24-41)61-57(63-58)45-31-20-36-50-54(45)64-52-38-18-16-34-48(52)59(50,42-25-8-3-9-26-42)43-27-10-4-11-28-43/h2-21,23-40H,22H2,1H3
InChIKeyNJKJTSALARYMTL-UHFFFAOYSA-N
XLogP14.32
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.02
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146388535
2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine
CID 155650366
4-[4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalene-1-carbonitrile
CID 166031257
4-[4-(9,9-diphenylxanthen-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 163506983
2-[4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031227
4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 166031308
2-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166995683
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639
4-[4-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163736945
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine (CID 174297442) is 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine is CC1CC=CC=C1C1(c2ccccc2)c2ccccc2Oc2c(-c3nc(-c4ccccc4)nc(-c4cccc5c4Oc4ccccc4C5(c4ccccc4)c4ccccc4)n3)cccc21.
What is the InChIKey of 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is NJKJTSALARYMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N3O2/c1-40-22-14-15-33-47(40)60(44-29-12-5-13-30-44)49-35-17-19-39-53(49)65-55-46(32-21-37-51(55)60)58-62-56(41-23-6-2-7-24-41)61-57(63-58)45-31-20-36-50-54(45)64-52-38-18-16-34-48(52)59(50,42-25-8-3-9-26-42)43-27-10-4-11-28-43/h2-21,23-40H,22H2,1H3.
What are the key properties of 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine?
2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 838.02 g/mol, XLogP of 14.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 174297442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).