2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine

C60H37NO — CID 134531269

IUPAC2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)nc4)c4ccccc34)cc21
InChIInChI=1S/C60H37NO/c1-2-14-37-34-57-50(31-36(37)13-1)49-32-38(27-30-56(49)62-57)55-29-26-40(35-61-55)59-47-20-5-3-18-45(47)58(46-19-4-6-21-48(46)59)39-25-28-44-43-17-9-12-24-53(43)60(54(44)33-39)51-22-10-7-15-41(51)42-16-8-11-23-52(42)60/h1-10,12-22,24-35H,11,23H2
InChIKeyDKJPADMCVDAPMW-UHFFFAOYSA-N
MW787.96 g/mol
LogP15.87
Rot. Bonds3

About 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine

2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine (PubChem CID 134531269) has the molecular formula C60H37NO and a molecular weight of 787.96 g/mol. Its IUPAC name is 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine.

Molecular Properties

Compound Name2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine
PubChem CID134531269
Molecular FormulaC60H37NO
Molecular Weight787.96 g/mol
Exact Mass787.29
IUPAC Name2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)nc4)c4ccccc34)cc21
InChIInChI=1S/C60H37NO/c1-2-14-37-34-57-50(31-36(37)13-1)49-32-38(27-30-56(49)62-57)55-29-26-40(35-61-55)59-47-20-5-3-18-45(47)58(46-19-4-6-21-48(46)59)39-25-28-44-43-17-9-12-24-53(43)60(54(44)33-39)51-22-10-7-15-41(51)42-16-8-11-23-52(42)60/h1-10,12-22,24-35H,11,23H2
InChIKeyDKJPADMCVDAPMW-UHFFFAOYSA-N
XLogP15.87
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.96
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 162042646
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531262
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-phenanthren-9-ylanthracen-9-yl)pyridine
CID 134530996
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
2-dibenzofuran-1-yl-4-phenyl-6-(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-1-yl)-1,3,5-triazine
CID 174284587
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-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
2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 134531225
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-fluoroanthracene
CID 89208400
5-[10-(1,2-dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531109
2-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
CID 134531002
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(5-pyridin-4-yl-10H-cyclohepta[b]naphthalen-11-yl)pyridine
CID 142353555

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine?
The IUPAC name of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine (CID 134531269) is 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine.
What is the SMILES notation for 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine?
The canonical SMILES for 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)nc4)c4ccccc34)cc21.
What is the InChIKey of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine?
The InChIKey is DKJPADMCVDAPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO/c1-2-14-37-34-57-50(31-36(37)13-1)49-32-38(27-30-56(49)62-57)55-29-26-40(35-61-55)59-47-20-5-3-18-45(47)58(46-19-4-6-21-48(46)59)39-25-28-44-43-17-9-12-24-53(43)60(54(44)33-39)51-22-10-7-15-41(51)42-16-8-11-23-52(42)60/h1-10,12-22,24-35H,11,23H2.
What are the key properties of 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine?
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine has a molecular weight of 787.96 g/mol, XLogP of 15.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-9-yl)pyridine is sourced from PubChem (CID 134531269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).