9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene

C35H28O — CID 170018181

IUPAC9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)cccc21
InChIInChI=1S/C35H28O/c1-34(2)30-17-9-10-19-32(30)36-33-25(15-11-18-31(33)34)23-20-21-29-27(22-23)26-14-7-8-16-28(26)35(29,3)24-12-5-4-6-13-24/h4-22H,1-3H3
InChIKeyDTQJRDLCNNETBR-UHFFFAOYSA-N
MW464.61 g/mol
LogP9.12
Rot. Bonds2

About 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene

9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene (PubChem CID 170018181) has the molecular formula C35H28O and a molecular weight of 464.61 g/mol. Its IUPAC name is 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene.

Molecular Properties

Compound Name9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
PubChem CID170018181
Molecular FormulaC35H28O
Molecular Weight464.61 g/mol
Exact Mass464.21
IUPAC Name9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
SMILESCC1(C)c2ccccc2Oc2c(-c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)cccc21
InChIInChI=1S/C35H28O/c1-34(2)30-17-9-10-19-32(30)36-33-25(15-11-18-31(33)34)23-20-21-29-27(22-23)26-14-7-8-16-28(26)35(29,3)24-12-5-4-6-13-24/h4-22H,1-3H3
InChIKeyDTQJRDLCNNETBR-UHFFFAOYSA-N
XLogP9.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170014482
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
4-(9,9-dimethylxanthen-4-yl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 90365685
bis(4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline);N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158922186
9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
CID 170020847
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-phenylaniline
CID 90365671
N,N-bis[4-(9,9-dimethylxanthen-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 90365643
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene?
The IUPAC name of 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene (CID 170018181) is 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene.
What is the SMILES notation for 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene?
The canonical SMILES for 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene is CC1(C)c2ccccc2Oc2c(-c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene?
The InChIKey is DTQJRDLCNNETBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O/c1-34(2)30-17-9-10-19-32(30)36-33-25(15-11-18-31(33)34)23-20-21-29-27(22-23)26-14-7-8-16-28(26)35(29,3)24-12-5-4-6-13-24/h4-22H,1-3H3.
What are the key properties of 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene?
9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene has a molecular weight of 464.61 g/mol, XLogP of 9.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene is sourced from PubChem (CID 170018181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).