2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

C87H72Br3N9 — CID 162418341

IUPAC2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
SMILESBrc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(C5CCCCC5)n4)cc3)c(-c3ccc(Br)cc3)c(-c3ccc(-c4nc(-c5ccccc5)nc(C5CCCCC5)n4)cc3)c(-c3ccc(Br)cc3)c2-c2ccc(-c3nc(-c4ccccc4)nc(C4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C87H72Br3N9/c88-70-49-43-58(44-50-70)76-73(55-31-37-67(38-32-55)85-94-79(61-19-7-1-8-20-61)91-80(95-85)62-21-9-2-10-22-62)77(59-45-51-71(89)52-46-59)75(57-35-41-69(42-36-57)87-98-83(65-27-15-5-16-28-65)93-84(99-87)66-29-17-6-18-30-66)78(60-47-53-72(90)54-48-60)74(76)56-33-39-68(40-34-56)86-96-81(63-23-11-3-12-24-63)92-82(97-86)64-25-13-4-14-26-64/h1,3,5,7-8,11-12,15-16,19-20,23-24,27-28,31-54,62,64,66H,2,4,6,9-10,13-14,17-18,21-22,25-26,29-30H2
InChIKeyCIZGPOYKJPZNPI-UHFFFAOYSA-N
MW1483.31 g/mol
LogP24.68
Rot. Bonds15

About 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine

2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 162418341) has the molecular formula C87H72Br3N9 and a molecular weight of 1483.31 g/mol. Its IUPAC name is 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
PubChem CID162418341
Molecular FormulaC87H72Br3N9
Molecular Weight1483.31 g/mol
Exact Mass1479.35
IUPAC Name2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
SMILESBrc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(C5CCCCC5)n4)cc3)c(-c3ccc(Br)cc3)c(-c3ccc(-c4nc(-c5ccccc5)nc(C5CCCCC5)n4)cc3)c(-c3ccc(Br)cc3)c2-c2ccc(-c3nc(-c4ccccc4)nc(C4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C87H72Br3N9/c88-70-49-43-58(44-50-70)76-73(55-31-37-67(38-32-55)85-94-79(61-19-7-1-8-20-61)91-80(95-85)62-21-9-2-10-22-62)77(59-45-51-71(89)52-46-59)75(57-35-41-69(42-36-57)87-98-83(65-27-15-5-16-28-65)93-84(99-87)66-29-17-6-18-30-66)78(60-47-53-72(90)54-48-60)74(76)56-33-39-68(40-34-56)86-96-81(63-23-11-3-12-24-63)92-82(97-86)64-25-13-4-14-26-64/h1,3,5,7-8,11-12,15-16,19-20,23-24,27-28,31-54,62,64,66H,2,4,6,9-10,13-14,17-18,21-22,25-26,29-30H2
InChIKeyCIZGPOYKJPZNPI-UHFFFAOYSA-N
XLogP24.68
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001483.31
LogP ≤ 524.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2,4-Di(4-biphenylyl)-6-(3-bromophenyl)-1,3,5-triazine
CID 90401467
2-(4-Bromo-3-fluorophenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 156563901
(7-Borono-9,9-difluorofluoren-2-yl)boronic acid;2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluorofluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157508253
2-[11-Fluoro-18-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 165150620
2-[11-Fluoro-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165150924
2-[11-Fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165151676
2-[4-[4-[(E)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]prop-1-enyl]-3-methylphenyl]phenyl]-4-[(2E,4Z)-6-fluorohexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazine
CID 169628595
2-(4-Bromo-2-fluorophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170658602
2-[3-[4-[4-[4-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,3,4,5,6-pentamethylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174268044
6,6'-(5'-(4-(4,6-Diamino-1,3,5-triazin-2-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(1,3,5-triazine-2,4-diamine)
CID 101913588
2,4-Bis[4-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-methyl-1,3,5-triazine
CID 134954992
CID 139083580
CID 139083580

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine (CID 162418341) is 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is Brc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(C5CCCCC5)n4)cc3)c(-c3ccc(Br)cc3)c(-c3ccc(-c4nc(-c5ccccc5)nc(C5CCCCC5)n4)cc3)c(-c3ccc(Br)cc3)c2-c2ccc(-c3nc(-c4ccccc4)nc(C4CCCCC4)n3)cc2)cc1.
What is the InChIKey of 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?
The InChIKey is CIZGPOYKJPZNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H72Br3N9/c88-70-49-43-58(44-50-70)76-73(55-31-37-67(38-32-55)85-94-79(61-19-7-1-8-20-61)91-80(95-85)62-21-9-2-10-22-62)77(59-45-51-71(89)52-46-59)75(57-35-41-69(42-36-57)87-98-83(65-27-15-5-16-28-65)93-84(99-87)66-29-17-6-18-30-66)78(60-47-53-72(90)54-48-60)74(76)56-33-39-68(40-34-56)86-96-81(63-23-11-3-12-24-63)92-82(97-86)64-25-13-4-14-26-64/h1,3,5,7-8,11-12,15-16,19-20,23-24,27-28,31-54,62,64,66H,2,4,6,9-10,13-14,17-18,21-22,25-26,29-30H2.
What are the key properties of 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine?
2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1483.31 g/mol, XLogP of 24.68, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-phenyl-6-[4-[2,4,6-tris(4-bromophenyl)-3,5-bis[4-(4-cyclohexyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 162418341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).