1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]

C54H34O — CID 170023741

IUPAC1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(C2(c3ccccc3-c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C54H34O/c1-2-19-37(20-3-1)53(45-27-11-9-24-41(45)43-33-35-17-4-5-18-36(35)34-49(43)53)44-26-10-8-23-40(44)42-25-16-32-51-52(42)54(48-30-14-15-31-50(48)55-51)46-28-12-6-21-38(46)39-22-7-13-29-47(39)54/h1-34H
InChIKeyUBWGOLGCTCJVHJ-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.34
Rot. Bonds3

About 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]

1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene] (PubChem CID 170023741) has the molecular formula C54H34O and a molecular weight of 698.87 g/mol. Its IUPAC name is 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]
PubChem CID170023741
Molecular FormulaC54H34O
Molecular Weight698.87 g/mol
Exact Mass698.26
IUPAC Name1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(C2(c3ccccc3-c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C54H34O/c1-2-19-37(20-3-1)53(45-27-11-9-24-41(45)43-33-35-17-4-5-18-36(35)34-49(43)53)44-26-10-8-23-40(44)42-25-16-32-51-52(42)54(48-30-14-15-31-50(48)55-51)46-28-12-6-21-38(46)39-22-7-13-29-47(39)54/h1-34H
InChIKeyUBWGOLGCTCJVHJ-UHFFFAOYSA-N
XLogP13.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene] with MolForge

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Related Compounds

1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352
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
5-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023132
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138476453
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
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
2,4-diphenyl-6-spiro[benzo[b]fluorene-11,9'-xanthene]-8-yl-1,3,5-triazine
CID 163915981

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene] (CID 170023741) is 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene] is c1ccc(C2(c3ccccc3-c3cccc4c3C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3ccccc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is UBWGOLGCTCJVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O/c1-2-19-37(20-3-1)53(45-27-11-9-24-41(45)43-33-35-17-4-5-18-36(35)34-49(43)53)44-26-10-8-23-40(44)42-25-16-32-51-52(42)54(48-30-14-15-31-50(48)55-51)46-28-12-6-21-38(46)39-22-7-13-29-47(39)54/h1-34H.
What are the key properties of 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 698.87 g/mol, XLogP of 13.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170023741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).