1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene

C28H24O4 — CID 15856539

IUPAC1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene
SMILESCOc1ccc(C2(c3ccccc3)c3c(OC)cccc3Oc3cccc(OC)c32)cc1
InChIInChI=1S/C28H24O4/c1-29-21-17-15-20(16-18-21)28(19-9-5-4-6-10-19)26-22(30-2)11-7-13-24(26)32-25-14-8-12-23(31-3)27(25)28/h4-18H,1-3H3
InChIKeyOKHKYGXNZULNEJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.20
Rot. Bonds5

About 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene

1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene (PubChem CID 15856539) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene.

Molecular Properties

Compound Name1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene
PubChem CID15856539
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene
SMILESCOc1ccc(C2(c3ccccc3)c3c(OC)cccc3Oc3cccc(OC)c32)cc1
InChIInChI=1S/C28H24O4/c1-29-21-17-15-20(16-18-21)28(19-9-5-4-6-10-19)26-22(30-2)11-7-13-24(26)32-25-14-8-12-23(31-3)27(25)28/h4-18H,1-3H3
InChIKeyOKHKYGXNZULNEJ-UHFFFAOYSA-N
XLogP6.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-bis(4-methoxyphenyl)xanthene
CID 139202599
9-(4-methoxyphenyl)xanthen-9-ol
CID 139147484
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
CID 158360359
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline
CID 132569394
(7-acetyloxy-8-methyl-9,9-diphenylxanthen-3-yl) acetate
CID 70562525
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
anisole;trihydrofluoride
CID 174796385
1-methoxy-4-phenylsulfanyloxysulfanylbenzene
CID 57195769

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene?
The IUPAC name of 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene (CID 15856539) is 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene.
What is the SMILES notation for 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene?
The canonical SMILES for 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene is COc1ccc(C2(c3ccccc3)c3c(OC)cccc3Oc3cccc(OC)c32)cc1.
What is the InChIKey of 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene?
The InChIKey is OKHKYGXNZULNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4/c1-29-21-17-15-20(16-18-21)28(19-9-5-4-6-10-19)26-22(30-2)11-7-13-24(26)32-25-14-8-12-23(31-3)27(25)28/h4-18H,1-3H3.
What are the key properties of 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene?
1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene has a molecular weight of 424.50 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene is sourced from PubChem (CID 15856539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).