2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C60H40N4 — CID 134574320

About 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 134574320) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• PubChem CID: 134574320
• Molecular Formula: C60H40N4
• Molecular Weight: 817.01 g/mol
• Exact Mass: 816.33
• IUPAC Name: 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc21
• InChI: InChI=1S/C60H40N4/c1-59(2)50-23-11-8-21-45(50)48-35-55-49(34-53(48)59)46-22-10-13-25-52(46)60(55)51-24-12-9-20-44(51)42-18-6-7-19-43(42)47-31-30-40(33-54(47)60)58-63-56(38-15-4-3-5-16-38)62-57(64-58)39-28-26-37(27-29-39)41-17-14-32-61-36-41/h3-36H,1-2H3
• InChIKey: WYCAOAQWSJCXHM-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.01
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 134574320) is 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc21.

What is the InChIKey of 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

The InChIKey is WYCAOAQWSJCXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-59(2)50-23-11-8-21-45(50)48-35-55-49(34-53(48)59)46-22-10-13-25-52(46)60(55)51-24-12-9-20-44(51)42-18-6-7-19-43(42)47-31-30-40(33-54(47)60)58-63-56(38-15-4-3-5-16-38)62-57(64-58)39-28-26-37(27-29-39)41-17-14-32-61-36-41/h3-36H,1-2H3.

What are the key properties of 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?

2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 817.01 g/mol, XLogP of 14.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134574320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).