2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone

C235H154N6O — CID 159669844

IUPAC2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone
SMILESO=C(c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1)c1ccc2c3ccccc3c3ccccc3c2c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccc6c7ccccc7c7cc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)ccc7c6c5)c4)c3)c2)cc1
InChIInChI=1S/C105H69N3.C69H45N3.C61H40O/c1-7-26-70(27-8-1)76-38-21-41-79(54-76)94-65-95(80-42-22-39-77(55-80)71-28-9-2-10-29-71)67-96(66-94)81-43-23-40-78(56-81)84-50-52-99-97-48-19-20-49-98(97)102-69-87(51-53-100(102)101(99)68-84)105-107-103(85-46-24-44-82(57-85)92-61-88(72-30-11-3-12-31-72)59-89(62-92)73-32-13-4-14-33-73)106-104(108-105)86-47-25-45-83(58-86)93-63-90(74-34-15-5-16-35-74)60-91(64-93)75-36-17-6-18-37-75;1-5-19-46(20-6-1)55-39-56(47-21-7-2-8-22-47)42-59(41-55)50-27-17-29-52(37-50)67-70-68(72-69(71-67)54-35-36-65-63-33-14-13-31-61(63)62-32-15-16-34-64(62)66(65)45-54)53-30-18-28-51(38-53)60-43-57(48-23-9-3-10-24-48)40-58(44-60)49-25-11-4-12-26-49;62-61(48-30-31-59-57-28-11-10-26-55(57)56-27-12-13-29-58(56)60(59)40-48)54-38-52(45-23-14-22-44(32-45)41-16-4-1-5-17-41)37-53(39-54)47-25-15-24-46(33-47)51-35-49(42-18-6-2-7-19-42)34-50(36-51)43-20-8-3-9-21-43/h1-69H;1-45H;1-40H
InChIKeyMTWAZGHALINFSG-UHFFFAOYSA-N
MW3077.86 g/mol
LogP63.05
Rot. Bonds32

About 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone

2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone (PubChem CID 159669844) has the molecular formula C235H154N6O and a molecular weight of 3077.86 g/mol. Its IUPAC name is 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone.

Molecular Properties

Compound Name2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone
PubChem CID159669844
Molecular FormulaC235H154N6O
Molecular Weight3077.86 g/mol
Exact Mass3075.22
IUPAC Name2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone
SMILESO=C(c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1)c1ccc2c3ccccc3c3ccccc3c2c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccc6c7ccccc7c7cc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)ccc7c6c5)c4)c3)c2)cc1
InChIInChI=1S/C105H69N3.C69H45N3.C61H40O/c1-7-26-70(27-8-1)76-38-21-41-79(54-76)94-65-95(80-42-22-39-77(55-80)71-28-9-2-10-29-71)67-96(66-94)81-43-23-40-78(56-81)84-50-52-99-97-48-19-20-49-98(97)102-69-87(51-53-100(102)101(99)68-84)105-107-103(85-46-24-44-82(57-85)92-61-88(72-30-11-3-12-31-72)59-89(62-92)73-32-13-4-14-33-73)106-104(108-105)86-47-25-45-83(58-86)93-63-90(74-34-15-5-16-35-74)60-91(64-93)75-36-17-6-18-37-75;1-5-19-46(20-6-1)55-39-56(47-21-7-2-8-22-47)42-59(41-55)50-27-17-29-52(37-50)67-70-68(72-69(71-67)54-35-36-65-63-33-14-13-31-61(63)62-32-15-16-34-64(62)66(65)45-54)53-30-18-28-51(38-53)60-43-57(48-23-9-3-10-24-48)40-58(44-60)49-25-11-4-12-26-49;62-61(48-30-31-59-57-28-11-10-26-55(57)56-27-12-13-29-58(56)60(59)40-48)54-38-52(45-23-14-22-44(32-45)41-16-4-1-5-17-41)37-53(39-54)47-25-15-24-46(33-47)51-35-49(42-18-6-2-7-19-42)34-50(36-51)43-20-8-3-9-21-43/h1-69H;1-45H;1-40H
InChIKeyMTWAZGHALINFSG-UHFFFAOYSA-N
XLogP63.05
TPSA94.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms242
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003077.86
LogP ≤ 563.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone with MolForge

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Related Compounds

2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-phenyl-4-triphenylen-2-yl-6-[4-[3-(1,2,2-triphenylethenyl)phenyl]phenyl]-1,3,5-triazine
CID 138548274
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-(3,5-diphenylphenyl)methanone
CID 58299161
bis[3-(3,5-diphenylphenyl)-5-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]methanone
CID 58299054
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone?
The IUPAC name of 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone (CID 159669844) is 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone.
What is the SMILES notation for 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone?
The canonical SMILES for 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone is O=C(c1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1)c1ccc2c3ccccc3c3ccccc3c2c1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc(-c5ccc6c7ccccc7c7cc(-c8nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)nc(-c9cccc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)c9)n8)ccc7c6c5)c4)c3)c2)cc1.
What is the InChIKey of 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone?
The InChIKey is MTWAZGHALINFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H69N3.C69H45N3.C61H40O/c1-7-26-70(27-8-1)76-38-21-41-79(54-76)94-65-95(80-42-22-39-77(55-80)71-28-9-2-10-29-71)67-96(66-94)81-43-23-40-78(56-81)84-50-52-99-97-48-19-20-49-98(97)102-69-87(51-53-100(102)101(99)68-84)105-107-103(85-46-24-44-82(57-85)92-61-88(72-30-11-3-12-31-72)59-89(62-92)73-32-13-4-14-33-73)106-104(108-105)86-47-25-45-83(58-86)93-63-90(74-34-15-5-16-35-74)60-91(64-93)75-36-17-6-18-37-75;1-5-19-46(20-6-1)55-39-56(47-21-7-2-8-22-47)42-59(41-55)50-27-17-29-52(37-50)67-70-68(72-69(71-67)54-35-36-65-63-33-14-13-31-61(63)62-32-15-16-34-64(62)66(65)45-54)53-30-18-28-51(38-53)60-43-57(48-23-9-3-10-24-48)40-58(44-60)49-25-11-4-12-26-49;62-61(48-30-31-59-57-28-11-10-26-55(57)56-27-12-13-29-58(56)60(59)40-48)54-38-52(45-23-14-22-44(32-45)41-16-4-1-5-17-41)37-53(39-54)47-25-15-24-46(33-47)51-35-49(42-18-6-2-7-19-42)34-50(36-51)43-20-8-3-9-21-43/h1-69H;1-45H;1-40H.
What are the key properties of 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone?
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone has a molecular weight of 3077.86 g/mol, XLogP of 63.05, 32 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine;2-[6-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]triphenylen-2-yl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;[3-[3-(3,5-diphenylphenyl)phenyl]-5-(3-phenylphenyl)phenyl]-triphenylen-2-ylmethanone is sourced from PubChem (CID 159669844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).