(2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]

C59H36O — CID 170028271

IUPAC(2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]
SMILESc1ccc(C2(c3cccc(-c4cc5c(c6ccccc46)Oc4ccccc4C54c5ccccc5C5c6ccc4c5c6)c3)c3ccccc3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C59H36O/c1-2-17-39(18-3-1)58(49-25-10-8-22-43(49)44-31-29-36-15-4-5-20-41(36)56(44)58)40-19-14-16-37(33-40)47-35-53-57(45-23-7-6-21-42(45)47)60-54-28-13-12-27-52(54)59(53)50-26-11-9-24-46(50)55-38-30-32-51(59)48(55)34-38/h1-35,55H
InChIKeyZIJNMCZEVCXRBQ-UHFFFAOYSA-N
MW760.94 g/mol
LogP14.32
Rot. Bonds3

About (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]

(2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene] (PubChem CID 170028271) has the molecular formula C59H36O and a molecular weight of 760.94 g/mol. Its IUPAC name is (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene].

Molecular Properties

Compound Name(2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]
PubChem CID170028271
Molecular FormulaC59H36O
Molecular Weight760.94 g/mol
Exact Mass760.28
IUPAC Name(2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]
SMILESc1ccc(C2(c3cccc(-c4cc5c(c6ccccc46)Oc4ccccc4C54c5ccccc5C5c6ccc4c5c6)c3)c3ccccc3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C59H36O/c1-2-17-39(18-3-1)58(49-25-10-8-22-43(49)44-31-29-36-15-4-5-20-41(36)56(44)58)40-19-14-16-37(33-40)47-35-53-57(45-23-7-6-21-42(45)47)60-54-28-13-12-27-52(54)59(53)50-26-11-9-24-46(50)55-38-30-32-51(59)48(55)34-38/h1-35,55H
InChIKeyZIJNMCZEVCXRBQ-UHFFFAOYSA-N
XLogP14.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene] with MolForge

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Related Compounds

5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170020995
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023018
5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023132
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552

Frequently Asked Questions

What is the IUPAC name of (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]?
The IUPAC name of (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene] (CID 170028271) is (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene].
What is the SMILES notation for (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]?
The canonical SMILES for (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene] is c1ccc(C2(c3cccc(-c4cc5c(c6ccccc46)Oc4ccccc4C54c5ccccc5C5c6ccc4c5c6)c3)c3ccccc3-c3ccc4ccccc4c32)cc1.
What is the InChIKey of (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]?
The InChIKey is ZIJNMCZEVCXRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36O/c1-2-17-39(18-3-1)58(49-25-10-8-22-43(49)44-31-29-36-15-4-5-20-41(36)56(44)58)40-19-14-16-37(33-40)47-35-53-57(45-23-7-6-21-42(45)47)60-54-28-13-12-27-52(54)59(53)50-26-11-9-24-46(50)55-38-30-32-51(59)48(55)34-38/h1-35,55H.
What are the key properties of (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene]?
(2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene] has a molecular weight of 760.94 g/mol, XLogP of 14.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S)-5-[3-(11-phenylbenzo[a]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-tetracyclo[8.4.0.02,5.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene] is sourced from PubChem (CID 170028271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).