9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene

C45H30O — CID 170019693

IUPAC9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C45H30O/c1-44(30-14-3-2-4-15-30)38-23-11-12-25-41(38)46-42-27-26-29(28-40(42)44)31-19-13-24-39-43(31)34-18-7-10-22-37(34)45(39)35-20-8-5-16-32(35)33-17-6-9-21-36(33)45/h2-28H,1H3
InChIKeyYJISKZGQXJNNIM-UHFFFAOYSA-N
MW586.73 g/mol
LogP11.16
Rot. Bonds2

About 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene

9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene (PubChem CID 170019693) 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]-4'-yl)xanthene.

Molecular Properties

Compound Name9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
PubChem CID170019693
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C45H30O/c1-44(30-14-3-2-4-15-30)38-23-11-12-25-41(38)46-42-27-26-29(28-40(42)44)31-19-13-24-39-43(31)34-18-7-10-22-37(34)45(39)35-20-8-5-16-32(35)33-17-6-9-21-36(33)45/h2-28H,1H3
InChIKeyYJISKZGQXJNNIM-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-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
CID 170020847
9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
CID 170032976
9,9-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]
CID 170037301
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene?
The IUPAC name of 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene (CID 170019693) is 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene.
What is the SMILES notation for 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene?
The canonical SMILES for 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene is CC1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene?
The InChIKey is YJISKZGQXJNNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-44(30-14-3-2-4-15-30)38-23-11-12-25-41(38)46-42-27-26-29(28-40(42)44)31-19-13-24-39-43(31)34-18-7-10-22-37(34)45(39)35-20-8-5-16-32(35)33-17-6-9-21-36(33)45/h2-28H,1H3.
What are the key properties of 9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene?
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-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]-4'-yl)xanthene is sourced from PubChem (CID 170019693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).