2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]

C46H32O — CID 170018587

IUPAC2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
SMILESCc1cc(-c2cccc3c2-c2ccccc2C3(C)c2ccccc2)c2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C46H32O/c1-29-27-35(33-20-14-25-40-43(33)34-19-8-9-21-36(34)45(40,2)30-15-4-3-5-16-30)44-41(28-29)46(39-24-12-13-26-42(39)47-44)37-22-10-6-17-31(37)32-18-7-11-23-38(32)46/h3-28H,1-2H3
InChIKeyXIYXQVVUDWORKA-UHFFFAOYSA-N
MW600.76 g/mol
LogP11.47
Rot. Bonds2

About 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]

2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 170018587) has the molecular formula C46H32O and a molecular weight of 600.76 g/mol. Its IUPAC name is 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
PubChem CID170018587
Molecular FormulaC46H32O
Molecular Weight600.76 g/mol
Exact Mass600.25
IUPAC Name2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
SMILESCc1cc(-c2cccc3c2-c2ccccc2C3(C)c2ccccc2)c2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C46H32O/c1-29-27-35(33-20-14-25-40-43(33)34-19-8-9-21-36(34)45(40,2)30-15-4-3-5-16-30)44-41(28-29)46(39-24-12-13-26-42(39)47-44)37-22-10-6-17-31(37)32-18-7-11-23-38(32)46/h3-28H,1-2H3
InChIKeyXIYXQVVUDWORKA-UHFFFAOYSA-N
XLogP11.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] with MolForge

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Related Compounds

9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033320
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
9,9-dimethyl-4-(9-methyl-9-phenylfluoren-3-yl)xanthene
CID 170018181
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 135251639
4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]
CID 155333446
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800

Frequently Asked Questions

What is the IUPAC name of 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] (CID 170018587) is 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] is Cc1cc(-c2cccc3c2-c2ccccc2C3(C)c2ccccc2)c2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is XIYXQVVUDWORKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O/c1-29-27-35(33-20-14-25-40-43(33)34-19-8-9-21-36(34)45(40,2)30-15-4-3-5-16-30)44-41(28-29)46(39-24-12-13-26-42(39)47-44)37-22-10-6-17-31(37)32-18-7-11-23-38(32)46/h3-28H,1-2H3.
What are the key properties of 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]?
2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 600.76 g/mol, XLogP of 11.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170018587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).