5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]

C58H36O — CID 170023132

IUPAC5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc(C2(c3ccc(-c4cc5c(c6ccccc46)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C58H36O/c1-2-18-40(19-3-1)57(49-25-11-10-23-45(49)48-34-38-16-4-5-17-39(38)35-53(48)57)41-32-30-37(31-33-41)47-36-54-56(46-24-7-6-20-42(46)47)59-55-29-15-14-28-52(55)58(54)50-26-12-8-21-43(50)44-22-9-13-27-51(44)58/h1-36H
InChIKeyWDJWSUVKZNYXQB-UHFFFAOYSA-N
MW748.93 g/mol
LogP14.49
Rot. Bonds3

About 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]

5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] (PubChem CID 170023132) has the molecular formula C58H36O and a molecular weight of 748.93 g/mol. Its IUPAC name is 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene].

Molecular Properties

Compound Name5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
PubChem CID170023132
Molecular FormulaC58H36O
Molecular Weight748.93 g/mol
Exact Mass748.28
IUPAC Name5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc(C2(c3ccc(-c4cc5c(c6ccccc46)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C58H36O/c1-2-18-40(19-3-1)57(49-25-11-10-23-45(49)48-34-38-16-4-5-17-39(38)35-53(48)57)41-32-30-37(31-33-41)47-36-54-56(46-24-7-6-20-42(46)47)59-55-29-15-14-28-52(55)58(54)50-26-12-8-21-43(50)44-22-9-13-27-51(44)58/h1-36H
InChIKeyWDJWSUVKZNYXQB-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

Analyze 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] with MolForge

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Related Compounds

5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033530
5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170019999
9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170027656
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168
5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170020995
3-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170021443
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023018
1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170023741
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033320
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367

Frequently Asked Questions

What is the IUPAC name of 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The IUPAC name of 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] (CID 170023132) is 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene].
What is the SMILES notation for 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The canonical SMILES for 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] is c1ccc(C2(c3ccc(-c4cc5c(c6ccccc46)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
The InChIKey is WDJWSUVKZNYXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36O/c1-2-18-40(19-3-1)57(49-25-11-10-23-45(49)48-34-38-16-4-5-17-39(38)35-53(48)57)41-32-30-37(31-33-41)47-36-54-56(46-24-7-6-20-42(46)47)59-55-29-15-14-28-52(55)58(54)50-26-12-8-21-43(50)44-22-9-13-27-51(44)58/h1-36H.
What are the key properties of 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]?
5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]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 5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene] is sourced from PubChem (CID 170023132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).