5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]

C55H36O — CID 170033320

IUPAC5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3-c3cc4c(c5ccccc35)Oc3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C55H36O/c1-54(36-17-3-2-4-18-36)46-26-12-9-22-40(46)43-32-31-35(33-50(43)54)37-19-5-6-20-38(37)45-34-51-53(44-25-8-7-21-39(44)45)56-52-30-16-15-29-49(52)55(51)47-27-13-10-23-41(47)42-24-11-14-28-48(42)55/h2-34H,1H3
InChIKeyAMLPTYYHSAPRIE-UHFFFAOYSA-N
MW712.89 g/mol
LogP13.98
Rot. Bonds3

About 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]

5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] (PubChem CID 170033320) has the molecular formula C55H36O and a molecular weight of 712.89 g/mol. Its IUPAC name is 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene].

Molecular Properties

Compound Name5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
PubChem CID170033320
Molecular FormulaC55H36O
Molecular Weight712.89 g/mol
Exact Mass712.28
IUPAC Name5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3-c3cc4c(c5ccccc35)Oc3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C55H36O/c1-54(36-17-3-2-4-18-36)46-26-12-9-22-40(46)43-32-31-35(33-50(43)54)37-19-5-6-20-38(37)45-34-51-53(44-25-8-7-21-39(44)45)56-52-30-16-15-29-49(52)55(51)47-27-13-10-23-41(47)42-24-11-14-28-48(42)55/h2-34H,1H3
InChIKeyAMLPTYYHSAPRIE-UHFFFAOYSA-N
XLogP13.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] with MolForge

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Related Compounds

2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
12-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177128021
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023132
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209

Frequently Asked Questions

What is the IUPAC name of 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The IUPAC name of 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] (CID 170033320) is 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene].
What is the SMILES notation for 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The canonical SMILES for 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3-c3cc4c(c5ccccc35)Oc3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The InChIKey is AMLPTYYHSAPRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O/c1-54(36-17-3-2-4-18-36)46-26-12-9-22-40(46)43-32-31-35(33-50(43)54)37-19-5-6-20-38(37)45-34-51-53(44-25-8-7-21-39(44)45)56-52-30-16-15-29-49(52)55(51)47-27-13-10-23-41(47)42-24-11-14-28-48(42)55/h2-34H,1H3.
What are the key properties of 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] has a molecular weight of 712.89 g/mol, XLogP of 13.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] is sourced from PubChem (CID 170033320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).