2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene

C40H30O — CID 170018311

IUPAC2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C40H30O/c1-39(2)34-19-11-12-20-37(34)41-38-24-22-28(26-36(38)39)27-21-23-32-31-17-9-10-18-33(31)40(35(32)25-27,29-13-5-3-6-14-29)30-15-7-4-8-16-30/h3-26H,1-2H3
InChIKeyNZJMQNDKECOCOP-UHFFFAOYSA-N
MW526.68 g/mol
LogP10.15
Rot. Bonds3

About 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene

2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene (PubChem CID 170018311) has the molecular formula C40H30O and a molecular weight of 526.68 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
PubChem CID170018311
Molecular FormulaC40H30O
Molecular Weight526.68 g/mol
Exact Mass526.23
IUPAC Name2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
InChIInChI=1S/C40H30O/c1-39(2)34-19-11-12-20-37(34)41-38-24-22-28(26-36(38)39)27-21-23-32-31-17-9-10-18-33(31)40(35(32)25-27,29-13-5-3-6-14-29)30-15-7-4-8-16-30/h3-26H,1-2H3
InChIKeyNZJMQNDKECOCOP-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

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
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679140
9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
CID 170032976
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)xanthen-3-amine
CID 166679206
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene?
The IUPAC name of 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene (CID 170018311) is 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene.
What is the SMILES notation for 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene?
The canonical SMILES for 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene is CC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.
What is the InChIKey of 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene?
The InChIKey is NZJMQNDKECOCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30O/c1-39(2)34-19-11-12-20-37(34)41-38-24-22-28(26-36(38)39)27-21-23-32-31-17-9-10-18-33(31)40(35(32)25-27,29-13-5-3-6-14-29)30-15-7-4-8-16-30/h3-26H,1-2H3.
What are the key properties of 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene?
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene 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 2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene is sourced from PubChem (CID 170018311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).