2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine

C49H32N2 — CID 159106632

IUPAC2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine
SMILESC1=CC(c2ccccn2)NC(c2ccc(-c3cc4c(c5ccccc35)-c3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)cc2)=C1
InChIInChI=1S/C49H32N2/c1-2-13-34-31(12-1)27-28-39-47-38-17-4-3-14-35(38)40(32-23-25-33(26-24-32)44-21-11-22-46(51-44)45-20-9-10-29-50-45)30-43(47)49(48(34)39)41-18-7-5-15-36(41)37-16-6-8-19-42(37)49/h1-30,46,51H
InChIKeyODIUGXVWINQIIJ-UHFFFAOYSA-N
MW648.81 g/mol
LogP11.64
Rot. Bonds3

About 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine

2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine (PubChem CID 159106632) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine.

Molecular Properties

Compound Name2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine
PubChem CID159106632
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine
SMILESC1=CC(c2ccccn2)NC(c2ccc(-c3cc4c(c5ccccc35)-c3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)cc2)=C1
InChIInChI=1S/C49H32N2/c1-2-13-34-31(12-1)27-28-39-47-38-17-4-3-14-35(38)40(32-23-25-33(26-24-32)44-21-11-22-46(51-44)45-20-9-10-29-50-45)30-43(47)49(48(34)39)41-18-7-5-15-36(41)37-16-6-8-19-42(37)49/h1-30,46,51H
InChIKeyODIUGXVWINQIIJ-UHFFFAOYSA-N
XLogP11.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 511.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine with MolForge

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Related Compounds

2-pyridin-2-yl-6-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl-2H-pyridin-1-ide
CID 145353079
9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961856
9'-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961805
9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962879
9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962679
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
22'-(4-fluoranthen-3-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];22'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];9'-(4-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 161140423
2-N-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)cyclohepta-1,3,5-triene-1,2-diamine
CID 145353504
2-N-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzene-1,2-diamine;toluene
CID 145353167
2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl-1,10b-dihydro-1,10-phenanthroline
CID 145353098
17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 140962833
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 140962790

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine?
The IUPAC name of 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine (CID 159106632) is 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine.
What is the SMILES notation for 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine?
The canonical SMILES for 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine is C1=CC(c2ccccn2)NC(c2ccc(-c3cc4c(c5ccccc35)-c3ccc5ccccc5c3C43c4ccccc4-c4ccccc43)cc2)=C1.
What is the InChIKey of 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine?
The InChIKey is ODIUGXVWINQIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-2-13-34-31(12-1)27-28-39-47-38-17-4-3-14-35(38)40(32-23-25-33(26-24-32)44-21-11-22-46(51-44)45-20-9-10-29-50-45)30-43(47)49(48(34)39)41-18-7-5-15-36(41)37-16-6-8-19-42(37)49/h1-30,46,51H.
What are the key properties of 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine?
2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine has a molecular weight of 648.81 g/mol, XLogP of 11.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)-1,2-dihydropyridin-2-yl]pyridine is sourced from PubChem (CID 159106632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).