5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]

C58H34O — CID 170019999

IUPAC5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc2c(c1)Oc1c(cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)c3ccccc13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C58H34O/c1-2-17-36-33-52-45(32-35(36)16-1)40-21-7-11-27-48(40)58(52)49-28-12-8-23-43(49)55-41(24-15-30-51(55)58)44-34-53-56(42-22-4-3-18-37(42)44)59-54-31-14-13-29-50(54)57(53)46-25-9-5-19-38(46)39-20-6-10-26-47(39)57/h1-34H
InChIKeyGRUKXEVBEYNYMY-UHFFFAOYSA-N
MW746.91 g/mol
LogP14.47
Rot. Bonds1

About 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]

5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene] (PubChem CID 170019999) has the molecular formula C58H34O and a molecular weight of 746.91 g/mol. Its IUPAC name is 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene].

Molecular Properties

Compound Name5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
PubChem CID170019999
Molecular FormulaC58H34O
Molecular Weight746.91 g/mol
Exact Mass746.26
IUPAC Name5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
SMILESc1ccc2c(c1)Oc1c(cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)c3ccccc13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C58H34O/c1-2-17-36-33-52-45(32-35(36)16-1)40-21-7-11-27-48(40)58(52)49-28-12-8-23-43(49)55-41(24-15-30-51(55)58)44-34-53-56(42-22-4-3-18-37(42)44)59-54-31-14-13-29-50(54)57(53)46-25-9-5-19-38(46)39-20-6-10-26-47(39)57/h1-34H
InChIKeyGRUKXEVBEYNYMY-UHFFFAOYSA-N
XLogP14.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033530
5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023132
10-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylspiro[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 170035840
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
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]
CID 155334397
6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170025229
N-(4-phenylnaphthalen-1-yl)-2-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477245
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477050
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051

Frequently Asked Questions

What is the IUPAC name of 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]?
The IUPAC name of 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene] (CID 170019999) is 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene].
What is the SMILES notation for 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]?
The canonical SMILES for 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene] is c1ccc2c(c1)Oc1c(cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)c3ccccc13)C21c2ccccc2-c2ccccc21.
What is the InChIKey of 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]?
The InChIKey is GRUKXEVBEYNYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O/c1-2-17-36-33-52-45(32-35(36)16-1)40-21-7-11-27-48(40)58(52)49-28-12-8-23-43(49)55-41(24-15-30-51(55)58)44-34-53-56(42-22-4-3-18-37(42)44)59-54-31-14-13-29-50(54)57(53)46-25-9-5-19-38(46)39-20-6-10-26-47(39)57/h1-34H.
What are the key properties of 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]?
5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene] has a molecular weight of 746.91 g/mol, XLogP of 14.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene] is sourced from PubChem (CID 170019999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).