9,9-bis(4-methoxyphenyl)xanthene

C27H22O3 — CID 139202599

IUPAC9,9-bis(4-methoxyphenyl)xanthene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C27H22O3/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)23-7-3-5-9-25(23)30-26-10-6-4-8-24(26)27/h3-18H,1-2H3
InChIKeyQGUIJABHQMJEAP-UHFFFAOYSA-N
MW394.47 g/mol
LogP6.19
Rot. Bonds4

About 9,9-bis(4-methoxyphenyl)xanthene

9,9-bis(4-methoxyphenyl)xanthene (PubChem CID 139202599) has the molecular formula C27H22O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is 9,9-bis(4-methoxyphenyl)xanthene.

Molecular Properties

Compound Name9,9-bis(4-methoxyphenyl)xanthene
PubChem CID139202599
Molecular FormulaC27H22O3
Molecular Weight394.47 g/mol
Exact Mass394.16
IUPAC Name9,9-bis(4-methoxyphenyl)xanthene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C27H22O3/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)23-7-3-5-9-25(23)30-26-10-6-4-8-24(26)27/h3-18H,1-2H3
InChIKeyQGUIJABHQMJEAP-UHFFFAOYSA-N
XLogP6.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-methoxyphenyl)xanthen-9-ol
CID 139147484
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
9,9-bis(6-methoxynaphthalen-2-yl)fluorene;9,9-bis(4-methoxyphenyl)fluorene;3',6'-dimethoxyspiro[fluorene-9,9'-xanthene]
CID 158360359
1,8-dimethoxy-9-(4-methoxyphenyl)-9-phenylxanthene
CID 15856539
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
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
9-phenyl-9-tetraphenylen-2-ylxanthene
CID 134164717
9-(6-but-2-ynoxynaphthalen-2-yl)-9-[4-[4-[9-(6-but-2-ynoxynaphthalen-2-yl)xanthen-9-yl]phenyl]sulfanylphenyl]xanthene
CID 153299422
9,9-bis(3-methylphenyl)xanthene
CID 23542272
9,9-bis[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]xanthene
CID 137456468
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-[4-(N-phenylanilino)phenyl]xanthen-9-yl]benzene-1,3-diamine
CID 154966647
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methoxyphenyl)xanthene?
The IUPAC name of 9,9-bis(4-methoxyphenyl)xanthene (CID 139202599) is 9,9-bis(4-methoxyphenyl)xanthene.
What is the SMILES notation for 9,9-bis(4-methoxyphenyl)xanthene?
The canonical SMILES for 9,9-bis(4-methoxyphenyl)xanthene is COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9,9-bis(4-methoxyphenyl)xanthene?
The InChIKey is QGUIJABHQMJEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O3/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)23-7-3-5-9-25(23)30-26-10-6-4-8-24(26)27/h3-18H,1-2H3.
What are the key properties of 9,9-bis(4-methoxyphenyl)xanthene?
9,9-bis(4-methoxyphenyl)xanthene has a molecular weight of 394.47 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methoxyphenyl)xanthene is sourced from PubChem (CID 139202599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).