2-pyridin-2-yl-6-(4-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'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline

C188H112N8 — CID 159902909

IUPAC2-pyridin-2-yl-6-(4-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'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4cc5ccccc5cc4-6)cc3)n2)nc1.c1ccc(-c2cccc(-c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4ccccc4cc3-5)n2)nc1.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3cc21.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4ccc5ccc6cccnc6c5n4)cc3cc21
InChIInChI=1S/C51H30N2.C49H30N2.C45H26N2.C43H26N2/c1-2-9-36-29-46-42(27-35(36)8-1)43-28-38-22-21-37(26-39(38)30-47(43)51(46)44-13-5-3-11-40(44)41-12-4-6-14-45(41)51)31-15-17-32(18-16-31)48-24-23-34-20-19-33-10-7-25-52-49(33)50(34)53-48;1-2-11-34-29-44-40(27-33(34)10-1)41-28-36-24-23-35(31-19-21-32(22-20-31)46-17-9-18-48(51-46)47-16-7-8-25-50-47)26-37(36)30-45(41)49(44)42-14-5-3-12-38(42)39-13-4-6-15-43(39)49;1-2-9-30-25-40-36(23-29(30)8-1)37-24-31-17-18-32(42-20-19-28-16-15-27-10-7-21-46-43(27)44(28)47-42)22-33(31)26-41(37)45(40)38-13-5-3-11-34(38)35-12-4-6-14-39(35)45;1-2-11-28-25-38-34(23-27(28)10-1)35-24-29-19-20-30(40-17-9-18-42(45-40)41-16-7-8-21-44-41)22-31(29)26-39(35)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
InChIKeyNWEPXQDVXDENRK-UHFFFAOYSA-N
MW2483.02 g/mol
LogP46.45
Rot. Bonds8

About 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline

2-pyridin-2-yl-6-(4-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'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline (PubChem CID 159902909) 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[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline
PubChem CID159902909
Molecular FormulaC188H112N8
Molecular Weight2483.02 g/mol
Exact Mass2480.90
IUPAC Name2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4cc5ccccc5cc4-6)cc3)n2)nc1.c1ccc(-c2cccc(-c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4ccccc4cc3-5)n2)nc1.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3cc21.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4ccc5ccc6cccnc6c5n4)cc3cc21
InChIInChI=1S/C51H30N2.C49H30N2.C45H26N2.C43H26N2/c1-2-9-36-29-46-42(27-35(36)8-1)43-28-38-22-21-37(26-39(38)30-47(43)51(46)44-13-5-3-11-40(44)41-12-4-6-14-45(41)51)31-15-17-32(18-16-31)48-24-23-34-20-19-33-10-7-25-52-49(33)50(34)53-48;1-2-11-34-29-44-40(27-33(34)10-1)41-28-36-24-23-35(31-19-21-32(22-20-31)46-17-9-18-48(51-46)47-16-7-8-25-50-47)26-37(36)30-45(41)49(44)42-14-5-3-12-38(42)39-13-4-6-15-43(39)49;1-2-9-30-25-40-36(23-29(30)8-1)37-24-31-17-18-32(42-20-19-28-16-15-27-10-7-21-46-43(27)44(28)47-42)22-33(31)26-41(37)45(40)38-13-5-3-11-34(38)35-12-4-6-14-39(35)45;1-2-11-28-25-38-34(23-27(28)10-1)35-24-29-19-20-30(40-17-9-18-42(45-40)41-16-7-8-21-44-41)22-31(29)26-39(35)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
InChIKeyNWEPXQDVXDENRK-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[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-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[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline (CID 159902909) is 2-pyridin-2-yl-6-(4-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'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline is c1ccc(-c2cccc(-c3ccc(-c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4cc5ccccc5cc4-6)cc3)n2)nc1.c1ccc(-c2cccc(-c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4ccccc4cc3-5)n2)nc1.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)cc3cc21.c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4ccc5ccc6cccnc6c5n4)cc3cc21.
What is the InChIKey of 2-pyridin-2-yl-6-(4-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'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline?
The InChIKey is NWEPXQDVXDENRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2.C49H30N2.C45H26N2.C43H26N2/c1-2-9-36-29-46-42(27-35(36)8-1)43-28-38-22-21-37(26-39(38)30-47(43)51(46)44-13-5-3-11-40(44)41-12-4-6-14-45(41)51)31-15-17-32(18-16-31)48-24-23-34-20-19-33-10-7-25-52-49(33)50(34)53-48;1-2-11-34-29-44-40(27-33(34)10-1)41-28-36-24-23-35(31-19-21-32(22-20-31)46-17-9-18-48(51-46)47-16-7-8-25-50-47)26-37(36)30-45(41)49(44)42-14-5-3-12-38(42)39-13-4-6-15-43(39)49;1-2-9-30-25-40-36(23-29(30)8-1)37-24-31-17-18-32(42-20-19-28-16-15-27-10-7-21-46-43(27)44(28)47-42)22-33(31)26-41(37)45(40)38-13-5-3-11-34(38)35-12-4-6-14-39(35)45;1-2-11-28-25-38-34(23-27(28)10-1)35-24-29-19-20-30(40-17-9-18-42(45-40)41-16-7-8-21-44-41)22-31(29)26-39(35)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[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline?
2-pyridin-2-yl-6-(4-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'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-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[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-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'-ylpyridine;2-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'-yl-1,10-phenanthroline;2-(4-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'-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 159902909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).