9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]

C58H36O — CID 170027656

IUPAC9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccc6ccccc6c4O5)ccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C58H36O/c1-3-18-42(19-4-1)57(43-20-5-2-6-21-43)52-35-40(27-30-47(52)48-33-38-16-7-8-17-39(38)34-53(48)57)41-29-32-55-54(36-41)58(51-31-28-37-15-9-10-22-44(37)56(51)59-55)49-25-13-11-23-45(49)46-24-12-14-26-50(46)58/h1-36H
InChIKeyHSRCEBKSJJICMC-UHFFFAOYSA-N
MW748.93 g/mol
LogP14.49
Rot. Bonds3

About 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]

9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene] (PubChem CID 170027656) has the molecular formula C58H36O and a molecular weight of 748.93 g/mol. Its IUPAC name is 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene].

Molecular Properties

Compound Name9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]
PubChem CID170027656
Molecular FormulaC58H36O
Molecular Weight748.93 g/mol
Exact Mass748.28
IUPAC Name9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccc6ccccc6c4O5)ccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C58H36O/c1-3-18-42(19-4-1)57(43-20-5-2-6-21-43)52-35-40(27-30-47(52)48-33-38-16-7-8-17-39(38)34-53(48)57)41-29-32-55-54(36-41)58(51-31-28-37-15-9-10-22-44(37)56(51)59-55)49-25-13-11-23-45(49)46-24-12-14-26-50(46)58/h1-36H
InChIKeyHSRCEBKSJJICMC-UHFFFAOYSA-N
XLogP14.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023018
2'-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 170034318
N-(9,9-diphenylfluoren-3-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 135229678
5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023132
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 126729461
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
4,6-diphenyl-2-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)pyrimidine
CID 139306402
N,N-bis(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-amine
CID 140918835

Frequently Asked Questions

What is the IUPAC name of 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]?
The IUPAC name of 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene] (CID 170027656) is 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene].
What is the SMILES notation for 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]?
The canonical SMILES for 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene] is c1ccc(C2(c3ccccc3)c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccc6ccccc6c4O5)ccc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]?
The InChIKey is HSRCEBKSJJICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36O/c1-3-18-42(19-4-1)57(43-20-5-2-6-21-43)52-35-40(27-30-47(52)48-33-38-16-7-8-17-39(38)34-53(48)57)41-29-32-55-54(36-41)58(51-31-28-37-15-9-10-22-44(37)56(51)59-55)49-25-13-11-23-45(49)46-24-12-14-26-50(46)58/h1-36H.
What are the key properties of 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]?
9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene] has a molecular weight of 748.93 g/mol, XLogP of 14.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene] is sourced from PubChem (CID 170027656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).