9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole

C100H78N10 — CID 159095382

IUPAC9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole
SMILESCc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)c(-c4nc(C)nc(C)n4)c3)c(-n3c4ccccc4c4cc(C)ccc43)c2)cc1.Cc1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)c(-c4nc(C)nc(C)n4)c3)c2)cc1
InChIInChI=1S/2C50H39N5/c1-30-14-18-35(19-15-30)36-20-22-38(49(29-36)55-45-13-9-7-11-40(45)42-27-32(3)17-24-47(42)55)37-21-25-48(43(28-37)50-52-33(4)51-34(5)53-50)54-44-12-8-6-10-39(44)41-26-31(2)16-23-46(41)54;1-30-14-18-35(19-15-30)36-20-24-46(54-44-12-8-6-10-38(44)41-26-31(2)16-22-47(41)54)40(28-36)37-21-25-49(43(29-37)50-52-33(4)51-34(5)53-50)55-45-13-9-7-11-39(45)42-27-32(3)17-23-48(42)55/h2*6-29H,1-5H3
InChIKeyKCPDWEPSOSBJMM-UHFFFAOYSA-N
MW1419.79 g/mol
LogP25.22
Rot. Bonds10

About 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole

9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole (PubChem CID 159095382) has the molecular formula C100H78N10 and a molecular weight of 1419.79 g/mol. Its IUPAC name is 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole
PubChem CID159095382
Molecular FormulaC100H78N10
Molecular Weight1419.79 g/mol
Exact Mass1418.64
IUPAC Name9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole
SMILESCc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)c(-c4nc(C)nc(C)n4)c3)c(-n3c4ccccc4c4cc(C)ccc43)c2)cc1.Cc1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)c(-c4nc(C)nc(C)n4)c3)c2)cc1
InChIInChI=1S/2C50H39N5/c1-30-14-18-35(19-15-30)36-20-22-38(49(29-36)55-45-13-9-7-11-40(45)42-27-32(3)17-24-47(42)55)37-21-25-48(43(28-37)50-52-33(4)51-34(5)53-50)54-44-12-8-6-10-39(44)41-26-31(2)16-23-46(41)54;1-30-14-18-35(19-15-30)36-20-24-46(54-44-12-8-6-10-38(44)41-26-31(2)16-22-47(41)54)40(28-36)37-21-25-49(43(29-37)50-52-33(4)51-34(5)53-50)55-45-13-9-7-11-39(45)42-27-32(3)17-23-48(42)55/h2*6-29H,1-5H3
InChIKeyKCPDWEPSOSBJMM-UHFFFAOYSA-N
XLogP25.22
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001419.79
LogP ≤ 525.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole with MolForge

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Related Compounds

9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[3-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163586496
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 163536109
9-[2-[3-[2-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 163501090
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 137414587
9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 157346069
9-[2-[3-[3-(3,6-dimethylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[3-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 163902535
3-methyl-9-[4-[4-(3-methylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]carbazole;3-methyl-9-[4-[4-(3-methylcarbazol-9-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)phenyl]carbazole
CID 159456270
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297
9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole
CID 158390729
9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(2-carbazol-9-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 155636691
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 148758940

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole?
The IUPAC name of 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole (CID 159095382) is 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole is Cc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)c(-c4nc(C)nc(C)n4)c3)c(-n3c4ccccc4c4cc(C)ccc43)c2)cc1.Cc1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3ccc(-n4c5ccccc5c5cc(C)ccc54)c(-c4nc(C)nc(C)n4)c3)c2)cc1.
What is the InChIKey of 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole?
The InChIKey is KCPDWEPSOSBJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H39N5/c1-30-14-18-35(19-15-30)36-20-22-38(49(29-36)55-45-13-9-7-11-40(45)42-27-32(3)17-24-47(42)55)37-21-25-48(43(28-37)50-52-33(4)51-34(5)53-50)54-44-12-8-6-10-39(44)41-26-31(2)16-23-46(41)54;1-30-14-18-35(19-15-30)36-20-24-46(54-44-12-8-6-10-38(44)41-26-31(2)16-22-47(41)54)40(28-36)37-21-25-49(43(29-37)50-52-33(4)51-34(5)53-50)55-45-13-9-7-11-39(45)42-27-32(3)17-23-48(42)55/h2*6-29H,1-5H3.
What are the key properties of 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole?
9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole has a molecular weight of 1419.79 g/mol, XLogP of 25.22, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-4-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[2-(3-methylcarbazol-9-yl)-5-(4-methylphenyl)phenyl]phenyl]-3-methylcarbazole is sourced from PubChem (CID 159095382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).