2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene

C52H38O2 — CID 155382417

IUPAC2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccc(-c3ccc4c(c3C)Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc1O2
InChIInChI=1S/C52H38O2/c1-35-27-32-48-46(33-35)52(40-21-11-5-12-22-40,41-23-13-6-14-24-41)44-30-28-37(34-49(44)53-48)42-29-31-45-50(36(42)2)54-47-26-16-15-25-43(47)51(45,38-17-7-3-8-18-38)39-19-9-4-10-20-39/h3-34H,1-2H3
InChIKeyUMUULIBALVMTEN-UHFFFAOYSA-N
MW694.87 g/mol
LogP12.95
Rot. Bonds5

About 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene

2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene (PubChem CID 155382417) has the molecular formula C52H38O2 and a molecular weight of 694.87 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene
PubChem CID155382417
Molecular FormulaC52H38O2
Molecular Weight694.87 g/mol
Exact Mass694.29
IUPAC Name2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccc(-c3ccc4c(c3C)Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc1O2
InChIInChI=1S/C52H38O2/c1-35-27-32-48-46(33-35)52(40-21-11-5-12-22-40,41-23-13-6-14-24-41)44-30-28-37(34-49(44)53-48)42-29-31-45-50(36(42)2)54-47-26-16-15-25-43(47)51(45,38-17-7-3-8-18-38)39-19-9-4-10-20-39/h3-34H,1-2H3
InChIKeyUMUULIBALVMTEN-UHFFFAOYSA-N
XLogP12.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.87
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
2-[3-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 161404978
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
9,9-bis(3-methylphenyl)xanthene
CID 23542272
9,9-bis(3-tert-butylphenyl)-2-methylfluorene;2',7'-ditert-butyl-2-methyl-9,9'-spirobi[fluorene];2-methylspiro[fluorene-9,9'-xanthene];2'-methylspiro[fluorene-9,9'-xanthene];4'-methylspiro[fluorene-9,9'-xanthene]
CID 163917294
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene?
The IUPAC name of 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene (CID 155382417) is 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene.
What is the SMILES notation for 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene?
The canonical SMILES for 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccc(-c3ccc4c(c3C)Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc1O2.
What is the InChIKey of 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene?
The InChIKey is UMUULIBALVMTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38O2/c1-35-27-32-48-46(33-35)52(40-21-11-5-12-22-40,41-23-13-6-14-24-41)44-30-28-37(34-49(44)53-48)42-29-31-45-50(36(42)2)54-47-26-16-15-25-43(47)51(45,38-17-7-3-8-18-38)39-19-9-4-10-20-39/h3-34H,1-2H3.
What are the key properties of 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene?
2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene has a molecular weight of 694.87 g/mol, XLogP of 12.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene is sourced from PubChem (CID 155382417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).