2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline

C188H112N8 — CID 158905311

IUPAC2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4cc5ccccc5cc4C64c5ccccc5-c5ccccc54)cc3)n2)nc1.c1ccc(-c2cccc(-c3ccc4c5c(ccc4c3)-c3cc4ccccc4cc3C53c4ccccc4-c4ccccc43)n2)nc1.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2ccc3cc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2ccc3cc(-c4ccc5ccc6cccnc6c5n4)ccc3c21
InChIInChI=1S/C51H30N2.C49H30N2.C45H26N2.C43H26N2/c1-2-9-36-30-46-43(29-35(36)8-1)42-25-22-38-28-37(21-24-39(38)48(42)51(46)44-13-5-3-11-40(44)41-12-4-6-14-45(41)51)31-15-17-32(18-16-31)47-26-23-34-20-19-33-10-7-27-52-49(33)50(34)53-47;1-2-11-34-30-44-41(29-33(34)10-1)40-26-24-36-28-35(31-19-21-32(22-20-31)45-17-9-18-47(51-45)46-16-7-8-27-50-46)23-25-37(36)48(40)49(44)42-14-5-3-12-38(42)39-13-4-6-15-43(39)49;1-2-9-30-26-40-37(25-29(30)8-1)36-21-17-31-24-32(41-22-19-28-16-15-27-10-7-23-46-43(27)44(28)47-41)18-20-33(31)42(36)45(40)38-13-5-3-11-34(38)35-12-4-6-14-39(35)45;1-2-11-28-26-38-35(25-27(28)10-1)34-22-19-29-24-30(39-17-9-18-41(45-39)40-16-7-8-23-44-40)20-21-31(29)42(34)43(38)36-14-5-3-12-32(36)33-13-4-6-15-37(33)43/h1-30H;1-30H;1-26H;1-26H
InChIKeyJFYWHPXDMUODTO-UHFFFAOYSA-N
MW2483.02 g/mol
LogP46.45
Rot. Bonds8

About 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline

2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline (PubChem CID 158905311) has the molecular formula C188H112N8 and a molecular weight of 2483.02 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline
PubChem CID158905311
Molecular FormulaC188H112N8
Molecular Weight2483.02 g/mol
Exact Mass2480.90
IUPAC Name2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4cc5ccccc5cc4C64c5ccccc5-c5ccccc54)cc3)n2)nc1.c1ccc(-c2cccc(-c3ccc4c5c(ccc4c3)-c3cc4ccccc4cc3C53c4ccccc4-c4ccccc43)n2)nc1.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2ccc3cc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2ccc3cc(-c4ccc5ccc6cccnc6c5n4)ccc3c21
InChIInChI=1S/C51H30N2.C49H30N2.C45H26N2.C43H26N2/c1-2-9-36-30-46-43(29-35(36)8-1)42-25-22-38-28-37(21-24-39(38)48(42)51(46)44-13-5-3-11-40(44)41-12-4-6-14-45(41)51)31-15-17-32(18-16-31)47-26-23-34-20-19-33-10-7-27-52-49(33)50(34)53-47;1-2-11-34-30-44-41(29-33(34)10-1)40-26-24-36-28-35(31-19-21-32(22-20-31)45-17-9-18-47(51-45)46-16-7-8-27-50-46)23-25-37(36)48(40)49(44)42-14-5-3-12-38(42)39-13-4-6-15-43(39)49;1-2-9-30-26-40-37(25-29(30)8-1)36-21-17-31-24-32(41-22-19-28-16-15-27-10-7-23-46-43(27)44(28)47-41)18-20-33(31)42(36)45(40)38-13-5-3-11-34(38)35-12-4-6-14-39(35)45;1-2-11-28-26-38-35(25-27(28)10-1)34-22-19-29-24-30(39-17-9-18-41(45-39)40-16-7-8-23-44-40)20-21-31(29)42(34)43(38)36-14-5-3-12-32(36)33-13-4-6-15-37(33)43/h1-30H;1-30H;1-26H;1-26H
InChIKeyJFYWHPXDMUODTO-UHFFFAOYSA-N
XLogP46.45
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms196
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002483.02
LogP ≤ 546.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline (CID 158905311) is 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline is c1ccc(-c2cccc(-c3ccc(-c4ccc5c6c(ccc5c4)-c4cc5ccccc5cc4C64c5ccccc5-c5ccccc54)cc3)n2)nc1.c1ccc(-c2cccc(-c3ccc4c5c(ccc4c3)-c3cc4ccccc4cc3C53c4ccccc4-c4ccccc43)n2)nc1.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2ccc3cc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc3c21.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2ccc3cc(-c4ccc5ccc6cccnc6c5n4)ccc3c21.
What is the InChIKey of 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline?
The InChIKey is JFYWHPXDMUODTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2.C49H30N2.C45H26N2.C43H26N2/c1-2-9-36-30-46-43(29-35(36)8-1)42-25-22-38-28-37(21-24-39(38)48(42)51(46)44-13-5-3-11-40(44)41-12-4-6-14-45(41)51)31-15-17-32(18-16-31)47-26-23-34-20-19-33-10-7-27-52-49(33)50(34)53-47;1-2-11-34-30-44-41(29-33(34)10-1)40-26-24-36-28-35(31-19-21-32(22-20-31)45-17-9-18-47(51-45)46-16-7-8-27-50-46)23-25-37(36)48(40)49(44)42-14-5-3-12-38(42)39-13-4-6-15-43(39)49;1-2-9-30-26-40-37(25-29(30)8-1)36-21-17-31-24-32(41-22-19-28-16-15-27-10-7-23-46-43(27)44(28)47-41)18-20-33(31)42(36)45(40)38-13-5-3-11-34(38)35-12-4-6-14-39(35)45;1-2-11-28-26-38-35(25-27(28)10-1)34-22-19-29-24-30(39-17-9-18-41(45-39)40-16-7-8-23-44-40)20-21-31(29)42(34)43(38)36-14-5-3-12-32(36)33-13-4-6-15-37(33)43/h1-30H;1-30H;1-26H;1-26H.
What are the key properties of 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline?
2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline has a molecular weight of 2483.02 g/mol, XLogP of 46.45, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 158905311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).