9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene

C44H34O — CID 170023814

IUPAC9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene
SMILESCC1(C)c2ccccc2Oc2ccc(C3=CC(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)CC=C3)cc21
InChIInChI=1S/C44H34O/c1-43(2)37-21-10-11-22-40(37)45-41-26-24-31(28-39(41)43)30-14-12-17-33(27-30)44(32-15-4-3-5-16-32)36-20-9-8-19-35(36)42-34-18-7-6-13-29(34)23-25-38(42)44/h3-16,18-28,33H,17H2,1-2H3
InChIKeyWKYDWQPPESXLTP-UHFFFAOYSA-N
MW578.76 g/mol
LogP11.25
Rot. Bonds3

About 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene

9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene (PubChem CID 170023814) has the molecular formula C44H34O and a molecular weight of 578.76 g/mol. Its IUPAC name is 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene.

Molecular Properties

Compound Name9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene
PubChem CID170023814
Molecular FormulaC44H34O
Molecular Weight578.76 g/mol
Exact Mass578.26
IUPAC Name9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene
SMILESCC1(C)c2ccccc2Oc2ccc(C3=CC(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)CC=C3)cc21
InChIInChI=1S/C44H34O/c1-43(2)37-21-10-11-22-40(37)45-41-26-24-31(28-39(41)43)30-14-12-17-33(27-30)44(32-15-4-3-5-16-32)36-20-9-8-19-35(36)42-34-18-7-6-13-29(34)23-25-38(42)44/h3-16,18-28,33H,17H2,1-2H3
InChIKeyWKYDWQPPESXLTP-UHFFFAOYSA-N
XLogP11.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170023888
1-(7,7-dimethylbenzo[g]fluoren-9-yl)-1-methyl-9,9-diphenyl-2H-xanthene
CID 170029419
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
N-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558180
N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365703
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163787598

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene?
The IUPAC name of 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene (CID 170023814) is 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene.
What is the SMILES notation for 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene?
The canonical SMILES for 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene is CC1(C)c2ccccc2Oc2ccc(C3=CC(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)CC=C3)cc21.
What is the InChIKey of 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene?
The InChIKey is WKYDWQPPESXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34O/c1-43(2)37-21-10-11-22-40(37)45-41-26-24-31(28-39(41)43)30-14-12-17-33(27-30)44(32-15-4-3-5-16-32)36-20-9-8-19-35(36)42-34-18-7-6-13-29(34)23-25-38(42)44/h3-16,18-28,33H,17H2,1-2H3.
What are the key properties of 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene?
9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene has a molecular weight of 578.76 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-[3-(7-phenylbenzo[c]fluoren-7-yl)cyclohexa-1,5-dien-1-yl]xanthene is sourced from PubChem (CID 170023814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).