2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine

C84H78N12 — CID 122487809

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C(C)C)nc(C(C)C)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C(C)C)nc(C(C)C)n7)cn6)cc5)c4)cc3)nc2)nc(C(C)C)n1
InChIInChI=1S/C84H78N12/c1-49(2)76-88-77(50(3)4)92-82(91-76)61-37-40-73(85-46-61)58-31-25-55(26-32-58)67-19-13-16-22-70(67)64-43-65(71-23-17-14-20-68(71)56-27-33-59(34-28-56)74-41-38-62(47-86-74)83-93-78(51(5)6)89-79(94-83)52(7)8)45-66(44-64)72-24-18-15-21-69(72)57-29-35-60(36-30-57)75-42-39-63(48-87-75)84-95-80(53(9)10)90-81(96-84)54(11)12/h13-54H,1-12H3
InChIKeyLGYUAAMLOBMRBP-UHFFFAOYSA-N
MW1255.63 g/mol
LogP21.17
Rot. Bonds18

About 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine

2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine (PubChem CID 122487809) has the molecular formula C84H78N12 and a molecular weight of 1255.63 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine
PubChem CID122487809
Molecular FormulaC84H78N12
Molecular Weight1255.63 g/mol
Exact Mass1254.65
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C(C)C)nc(C(C)C)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C(C)C)nc(C(C)C)n7)cn6)cc5)c4)cc3)nc2)nc(C(C)C)n1
InChIInChI=1S/C84H78N12/c1-49(2)76-88-77(50(3)4)92-82(91-76)61-37-40-73(85-46-61)58-31-25-55(26-32-58)67-19-13-16-22-70(67)64-43-65(71-23-17-14-20-68(71)56-27-33-59(34-28-56)74-41-38-62(47-86-74)83-93-78(51(5)6)89-79(94-83)52(7)8)45-66(44-64)72-24-18-15-21-69(72)57-29-35-60(36-30-57)75-42-39-63(48-87-75)84-95-80(53(9)10)90-81(96-84)54(11)12/h13-54H,1-12H3
InChIKeyLGYUAAMLOBMRBP-UHFFFAOYSA-N
XLogP21.17
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001255.63
LogP ≤ 521.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine
CID 134191435
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
4,6-ditert-butyl-2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 140838867
2-propan-2-yl-4,6-bis(5-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 126550801
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
CID 161384544
CID 161384544
2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134179071
1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
CID 126639001
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838721
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine (CID 122487809) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine is CC(C)c1nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C(C)C)nc(C(C)C)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C(C)C)nc(C(C)C)n7)cn6)cc5)c4)cc3)nc2)nc(C(C)C)n1.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine?
The InChIKey is LGYUAAMLOBMRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H78N12/c1-49(2)76-88-77(50(3)4)92-82(91-76)61-37-40-73(85-46-61)58-31-25-55(26-32-58)67-19-13-16-22-70(67)64-43-65(71-23-17-14-20-68(71)56-27-33-59(34-28-56)74-41-38-62(47-86-74)83-93-78(51(5)6)89-79(94-83)52(7)8)45-66(44-64)72-24-18-15-21-69(72)57-29-35-60(36-30-57)75-42-39-63(48-87-75)84-95-80(53(9)10)90-81(96-84)54(11)12/h13-54H,1-12H3.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine?
2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine has a molecular weight of 1255.63 g/mol, XLogP of 21.17, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 122487809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).