9,9-bis(3-methylphenyl)xanthene

C27H22O — CID 23542272

IUPAC9,9-bis(3-methylphenyl)xanthene
SMILESCc1cccc(C2(c3cccc(C)c3)c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C27H22O/c1-19-9-7-11-21(17-19)27(22-12-8-10-20(2)18-22)23-13-3-5-15-25(23)28-26-16-6-4-14-24(26)27/h3-18H,1-2H3
InChIKeyHZTSMKFRBGDTLD-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.79
Rot. Bonds2

About 9,9-bis(3-methylphenyl)xanthene

9,9-bis(3-methylphenyl)xanthene (PubChem CID 23542272) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is 9,9-bis(3-methylphenyl)xanthene.

Molecular Properties

Compound Name9,9-bis(3-methylphenyl)xanthene
PubChem CID23542272
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name9,9-bis(3-methylphenyl)xanthene
SMILESCc1cccc(C2(c3cccc(C)c3)c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C27H22O/c1-19-9-7-11-21(17-19)27(22-12-8-10-20(2)18-22)23-13-3-5-15-25(23)28-26-16-6-4-14-24(26)27/h3-18H,1-2H3
InChIKeyHZTSMKFRBGDTLD-UHFFFAOYSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
9-phenyl-9-tetraphenylen-2-ylxanthene
CID 134164717
1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]
CID 122222950
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886307
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
9,9-bis(4-methoxyphenyl)xanthene
CID 139202599
2-methyl-6-(4-methyl-9,9-diphenylxanthen-3-yl)-9,9-diphenylxanthene
CID 155382417
5-(3-isocyanophenyl)-14-(3-methylphenyl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene-2,9'-xanthene]
CID 160966397
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
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
CID 155333539

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3-methylphenyl)xanthene?
The IUPAC name of 9,9-bis(3-methylphenyl)xanthene (CID 23542272) is 9,9-bis(3-methylphenyl)xanthene.
What is the SMILES notation for 9,9-bis(3-methylphenyl)xanthene?
The canonical SMILES for 9,9-bis(3-methylphenyl)xanthene is Cc1cccc(C2(c3cccc(C)c3)c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 9,9-bis(3-methylphenyl)xanthene?
The InChIKey is HZTSMKFRBGDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O/c1-19-9-7-11-21(17-19)27(22-12-8-10-20(2)18-22)23-13-3-5-15-25(23)28-26-16-6-4-14-24(26)27/h3-18H,1-2H3.
What are the key properties of 9,9-bis(3-methylphenyl)xanthene?
9,9-bis(3-methylphenyl)xanthene has a molecular weight of 362.47 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3-methylphenyl)xanthene is sourced from PubChem (CID 23542272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).