2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran

C55H32O — CID 166034566

IUPAC2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc4cc(-c5ccc6oc7cc8ccccc8cc7c6c5)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C55H32O/c1-2-12-34-32-52-47(29-33(34)11-1)46-30-38(25-26-51(46)56-52)36-21-22-37-28-40(24-23-35(37)27-36)45-31-39-13-3-4-14-41(39)54-53(45)44-17-7-10-20-50(44)55(54)48-18-8-5-15-42(48)43-16-6-9-19-49(43)55/h1-32H
InChIKeyVKGUHIJRISKJIQ-UHFFFAOYSA-N
MW708.86 g/mol
LogP14.72
Rot. Bonds2

About 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran

2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 166034566) has the molecular formula C55H32O and a molecular weight of 708.86 g/mol. Its IUPAC name is 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran
PubChem CID166034566
Molecular FormulaC55H32O
Molecular Weight708.86 g/mol
Exact Mass708.25
IUPAC Name2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc4cc(-c5ccc6oc7cc8ccccc8cc7c6c5)ccc4c3)cc3ccccc3c21
InChIInChI=1S/C55H32O/c1-2-12-34-32-52-47(29-33(34)11-1)46-30-38(25-26-51(46)56-52)36-21-22-37-28-40(24-23-35(37)27-36)45-31-39-13-3-4-14-41(39)54-53(45)44-17-7-10-20-50(44)55(54)48-18-8-5-15-42(48)43-16-6-9-19-49(43)55/h1-32H
InChIKeyVKGUHIJRISKJIQ-UHFFFAOYSA-N
XLogP14.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran
CID 166034341
2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran
CID 166034517
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 137493809
8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034203
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510
2-[10-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)anthracen-9-yl]dibenzofuran
CID 137494278
2-[3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652604
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylanthracen-9-yl)dibenzofuran
CID 137493892
2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran
CID 174184732
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
2-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 90433498
2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran
CID 144583462

Frequently Asked Questions

What is the IUPAC name of 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran (CID 166034566) is 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc4cc(-c5ccc6oc7cc8ccccc8cc7c6c5)ccc4c3)cc3ccccc3c21.
What is the InChIKey of 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is VKGUHIJRISKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32O/c1-2-12-34-32-52-47(29-33(34)11-1)46-30-38(25-26-51(46)56-52)36-21-22-37-28-40(24-23-35(37)27-36)45-31-39-13-3-4-14-41(39)54-53(45)44-17-7-10-20-50(44)55(54)48-18-8-5-15-42(48)43-16-6-9-19-49(43)55/h1-32H.
What are the key properties of 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran?
2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 708.86 g/mol, XLogP of 14.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 166034566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).