2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine

C40H32N4 — CID 167353709

IUPAC2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3cc5ccccc5cc3C43C4CC5CC(C4)CC3C5)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C40H32N4/c1-2-8-26(9-3-1)37-42-38(44-39(43-37)36-12-6-7-15-41-36)29-13-14-34-32(22-29)33-21-27-10-4-5-11-28(27)23-35(33)40(34)30-17-24-16-25(19-30)20-31(40)18-24/h1-15,21-25,30-31H,16-20H2
InChIKeyQCSKMOCVMFBAKF-UHFFFAOYSA-N
MW568.72 g/mol
LogP9.14
Rot. Bonds3

About 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine

2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine (PubChem CID 167353709) has the molecular formula C40H32N4 and a molecular weight of 568.72 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine
PubChem CID167353709
Molecular FormulaC40H32N4
Molecular Weight568.72 g/mol
Exact Mass568.26
IUPAC Name2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3cc5ccccc5cc3C43C4CC5CC(C4)CC3C5)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C40H32N4/c1-2-8-26(9-3-1)37-42-38(44-39(43-37)36-12-6-7-15-41-36)29-13-14-34-32(22-29)33-21-27-10-4-5-11-28(27)23-35(33)40(34)30-17-24-16-25(19-30)20-31(40)18-24/h1-15,21-25,30-31H,16-20H2
InChIKeyQCSKMOCVMFBAKF-UHFFFAOYSA-N
XLogP9.14
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine
CID 164818888
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine
CID 167353503
2,4-diphenyl-6-spiro[adamantane-2,12'-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-1,3,5-triazine
CID 167353589
2-phenyl-4-(3-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353491
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819047
2-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 168803912
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663
2-[3-(4-methylphenyl)-5-(6'-pyridin-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 164811699
2-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine;2-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine;2-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
CID 165103822
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-spiro[adamantane-2,9'-fluorene]-2'-yl-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-spiro[adamantane-2,9'-fluorene]-2'-yl-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylpyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 165101737
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353943

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine (CID 167353709) is 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)-c3cc5ccccc5cc3C43C4CC5CC(C4)CC3C5)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine?
The InChIKey is QCSKMOCVMFBAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N4/c1-2-8-26(9-3-1)37-42-38(44-39(43-37)36-12-6-7-15-41-36)29-13-14-34-32(22-29)33-21-27-10-4-5-11-28(27)23-35(33)40(34)30-17-24-16-25(19-30)20-31(40)18-24/h1-15,21-25,30-31H,16-20H2.
What are the key properties of 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine?
2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine has a molecular weight of 568.72 g/mol, XLogP of 9.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-2-yl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine is sourced from PubChem (CID 167353709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).