9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene

C40H30O — CID 170020847

IUPAC9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc4c3C(C)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C40H30O/c1-39(28-14-5-3-6-15-28)34-22-11-12-23-36(34)41-37-25-24-27(26-35(37)39)30-19-13-20-32-31-18-9-10-21-33(31)40(2,38(30)32)29-16-7-4-8-17-29/h3-26H,1-2H3
InChIKeyGONULEBSQZAMAE-UHFFFAOYSA-N
MW526.68 g/mol
LogP10.15
Rot. Bonds3

About 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene

9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene (PubChem CID 170020847) has the molecular formula C40H30O and a molecular weight of 526.68 g/mol. Its IUPAC name is 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene.

Molecular Properties

Compound Name9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
PubChem CID170020847
Molecular FormulaC40H30O
Molecular Weight526.68 g/mol
Exact Mass526.23
IUPAC Name9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc4c3C(C)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C40H30O/c1-39(28-14-5-3-6-15-28)34-22-11-12-23-36(34)41-37-25-24-27(26-35(37)39)30-19-13-20-32-31-18-9-10-21-33(31)40(2,38(30)32)29-16-7-4-8-17-29/h3-26H,1-2H3
InChIKeyGONULEBSQZAMAE-UHFFFAOYSA-N
XLogP10.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
12-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177128021
9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
CID 170018181
2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033320

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene?
The IUPAC name of 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene (CID 170020847) is 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene.
What is the SMILES notation for 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene?
The canonical SMILES for 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene is CC1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc4c3C(C)(c3ccccc3)c3ccccc3-4)cc21.
What is the InChIKey of 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene?
The InChIKey is GONULEBSQZAMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30O/c1-39(28-14-5-3-6-15-28)34-22-11-12-23-36(34)41-37-25-24-27(26-35(37)39)30-19-13-20-32-31-18-9-10-21-33(31)40(2,38(30)32)29-16-7-4-8-17-29/h3-26H,1-2H3.
What are the key properties of 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene?
9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene has a molecular weight of 526.68 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene is sourced from PubChem (CID 170020847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).