9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene

C44H32O — CID 170029425

IUPAC9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c3)cccc21
InChIInChI=1S/C44H32O/c1-43(2)37-23-10-11-25-40(37)45-42-34(21-13-24-39(42)43)30-15-12-18-32(28-30)44(31-16-4-3-5-17-31)36-22-9-8-20-35(36)41-33-19-7-6-14-29(33)26-27-38(41)44/h3-28H,1-2H3
InChIKeyVLBNICJFLUOKEA-UHFFFAOYSA-N
MW576.74 g/mol
LogP11.30
Rot. Bonds3

About 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene

9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene (PubChem CID 170029425) has the molecular formula C44H32O and a molecular weight of 576.74 g/mol. Its IUPAC name is 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene.

Molecular Properties

Compound Name9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
PubChem CID170029425
Molecular FormulaC44H32O
Molecular Weight576.74 g/mol
Exact Mass576.25
IUPAC Name9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
SMILESCC1(C)c2ccccc2Oc2c(-c3cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c3)cccc21
InChIInChI=1S/C44H32O/c1-43(2)37-23-10-11-25-40(37)45-42-34(21-13-24-39(42)43)30-15-12-18-32(28-30)44(31-16-4-3-5-17-31)36-22-9-8-20-35(36)41-33-19-7-6-14-29(33)26-27-38(41)44/h3-28H,1-2H3
InChIKeyVLBNICJFLUOKEA-UHFFFAOYSA-N
XLogP11.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170023888
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170023891
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 159953736
4-[8-(9,9-dimethylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-diphenylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-diphenylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylxanthene
CID 158581005
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;4-(9,9-dimethylxanthen-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;4-(9,9-dimethylxanthen-4-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-(7,9,9-triphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 158645272
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279
9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
CID 170018181
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?
The IUPAC name of 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene (CID 170029425) is 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene.
What is the SMILES notation for 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?
The canonical SMILES for 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene is CC1(C)c2ccccc2Oc2c(-c3cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c3)cccc21.
What is the InChIKey of 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?
The InChIKey is VLBNICJFLUOKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O/c1-43(2)37-23-10-11-25-40(37)45-42-34(21-13-24-39(42)43)30-15-12-18-32(28-30)44(31-16-4-3-5-17-31)36-22-9-8-20-35(36)41-33-19-7-6-14-29(33)26-27-38(41)44/h3-28H,1-2H3.
What are the key properties of 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene has a molecular weight of 576.74 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene is sourced from PubChem (CID 170029425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).