9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene

C45H30O — CID 170020209

IUPAC9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C45H30O/c1-44(31-13-3-2-4-14-31)40-21-11-12-22-42(40)46-43-26-24-30(28-41(43)44)29-23-25-39-35(27-29)34-17-7-10-20-38(34)45(39)36-18-8-5-15-32(36)33-16-6-9-19-37(33)45/h2-28H,1H3
InChIKeyZJQJCJDMGFJAGL-UHFFFAOYSA-N
MW586.73 g/mol
LogP11.16
Rot. Bonds2

About 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene

9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene (PubChem CID 170020209) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene.

Molecular Properties

Compound Name9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
PubChem CID170020209
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C45H30O/c1-44(31-13-3-2-4-14-31)40-21-11-12-22-42(40)46-43-26-24-30(28-41(43)44)29-23-25-39-35(27-29)34-17-7-10-20-38(34)45(39)36-18-8-5-15-32(36)33-16-6-9-19-37(33)45/h2-28H,1H3
InChIKeyZJQJCJDMGFJAGL-UHFFFAOYSA-N
XLogP11.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 511.16
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
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
CID 170020847
2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene
CID 170027969
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene?
The IUPAC name of 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene (CID 170020209) is 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene.
What is the SMILES notation for 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene?
The canonical SMILES for 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene is CC1(c2ccccc2)c2ccccc2Oc2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene?
The InChIKey is ZJQJCJDMGFJAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-44(31-13-3-2-4-14-31)40-21-11-12-22-42(40)46-43-26-24-30(28-41(43)44)29-23-25-39-35(27-29)34-17-7-10-20-38(34)45(39)36-18-8-5-15-32(36)33-16-6-9-19-37(33)45/h2-28H,1H3.
What are the key properties of 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene?
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene has a molecular weight of 586.73 g/mol, XLogP of 11.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene is sourced from PubChem (CID 170020209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).