2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]

C55H36O — CID 170023891

IUPAC2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESCc1cccc2c1C(c1ccccc1)(c1cccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c1)c1ccc3ccccc3c1-2
InChIInChI=1S/C55H36O/c1-35-15-13-24-44-52-41-21-6-5-16-36(41)29-31-48(52)54(53(35)44,39-18-3-2-4-19-39)40-20-14-17-37(33-40)38-30-32-51-49(34-38)55(47-27-11-12-28-50(47)56-51)45-25-9-7-22-42(45)43-23-8-10-26-46(43)55/h2-34H,1H3
InChIKeyAIWASNQSGUEMRK-UHFFFAOYSA-N
MW712.89 g/mol
LogP13.65
Rot. Bonds3

About 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]

2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene] (PubChem CID 170023891) has the molecular formula C55H36O and a molecular weight of 712.89 g/mol. Its IUPAC name is 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]
PubChem CID170023891
Molecular FormulaC55H36O
Molecular Weight712.89 g/mol
Exact Mass712.28
IUPAC Name2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESCc1cccc2c1C(c1ccccc1)(c1cccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c1)c1ccc3ccccc3c1-2
InChIInChI=1S/C55H36O/c1-35-15-13-24-44-52-41-21-6-5-16-36(41)29-31-48(52)54(53(35)44,39-18-3-2-4-19-39)40-20-14-17-37(33-40)38-30-32-51-49(34-38)55(47-27-11-12-28-50(47)56-51)45-25-9-7-22-42(45)43-23-8-10-26-46(43)55/h2-34H,1H3
InChIKeyAIWASNQSGUEMRK-UHFFFAOYSA-N
XLogP13.65
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 ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene] with MolForge

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Related Compounds

9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170023888
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023018
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
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165

Frequently Asked Questions

What is the IUPAC name of 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene] (CID 170023891) is 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene] is Cc1cccc2c1C(c1ccccc1)(c1cccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c1)c1ccc3ccccc3c1-2.
What is the InChIKey of 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is AIWASNQSGUEMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O/c1-35-15-13-24-44-52-41-21-6-5-16-36(41)29-31-48(52)54(53(35)44,39-18-3-2-4-19-39)40-20-14-17-37(33-40)38-30-32-51-49(34-38)55(47-27-11-12-28-50(47)56-51)45-25-9-7-22-42(45)43-23-8-10-26-46(43)55/h2-34H,1H3.
What are the key properties of 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 712.89 g/mol, XLogP of 13.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170023891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).