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

C94H61ClN8 — CID 134227268

IUPAC2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESClc1cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2)c1
InChIInChI=1S/C94H61ClN8/c95-82-58-80(85-39-15-13-37-83(85)66-41-45-68(46-42-66)87-51-49-78(60-96-87)93-100-89(74-33-17-29-70(53-74)62-21-5-1-6-22-62)98-90(101-93)75-34-18-30-71(54-75)63-23-7-2-8-24-63)57-81(59-82)86-40-16-14-38-84(86)67-43-47-69(48-44-67)88-52-50-79(61-97-88)94-102-91(76-35-19-31-72(55-76)64-25-9-3-10-26-64)99-92(103-94)77-36-20-32-73(56-77)65-27-11-4-12-28-65/h1-61H
InChIKeyNNVLYXDIHONSPT-UHFFFAOYSA-N
MW1338.03 g/mol
LogP24.17
Rot. Bonds16

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

2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 134227268) has the molecular formula C94H61ClN8 and a molecular weight of 1338.03 g/mol. Its IUPAC name is 2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID134227268
Molecular FormulaC94H61ClN8
Molecular Weight1338.03 g/mol
Exact Mass1336.47
IUPAC Name2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESClc1cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2)c1
InChIInChI=1S/C94H61ClN8/c95-82-58-80(85-39-15-13-37-83(85)66-41-45-68(46-42-66)87-51-49-78(60-96-87)93-100-89(74-33-17-29-70(53-74)62-21-5-1-6-22-62)98-90(101-93)75-34-18-30-71(54-75)63-23-7-2-8-24-63)57-81(59-82)86-40-16-14-38-84(86)67-43-47-69(48-44-67)88-52-50-79(61-97-88)94-102-91(76-35-19-31-72(55-76)64-25-9-3-10-26-64)99-92(103-94)77-36-20-32-73(56-77)65-27-11-4-12-28-65/h1-61H
InChIKeyNNVLYXDIHONSPT-UHFFFAOYSA-N
XLogP24.17
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001338.03
LogP ≤ 524.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 134227268) is 2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is Clc1cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2)c1.
What is the InChIKey of 2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is NNVLYXDIHONSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H61ClN8/c95-82-58-80(85-39-15-13-37-83(85)66-41-45-68(46-42-66)87-51-49-78(60-96-87)93-100-89(74-33-17-29-70(53-74)62-21-5-1-6-22-62)98-90(101-93)75-34-18-30-71(54-75)63-23-7-2-8-24-63)57-81(59-82)86-40-16-14-38-84(86)67-43-47-69(48-44-67)88-52-50-79(61-97-88)94-102-91(76-35-19-31-72(55-76)64-25-9-3-10-26-64)99-92(103-94)77-36-20-32-73(56-77)65-27-11-4-12-28-65/h1-61H.
What are the key properties of 2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 1338.03 g/mol, XLogP of 24.17, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-chlorophenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134227268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).