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

C90H72N8 — CID 159456270

IUPAC3-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
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3nc(C)c(C)c(C)n3)c2)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3nc(C)nc(C)c3C)c2)cc1
InChIInChI=1S/2C45H36N4/c1-27-14-21-42-37(24-27)35-10-6-8-12-40(35)48(42)34-19-16-32(17-20-34)33-18-23-44(39(26-33)45-29(3)30(4)46-31(5)47-45)49-41-13-9-7-11-36(41)38-25-28(2)15-22-43(38)49;1-27-14-21-42-37(24-27)35-10-6-8-12-40(35)48(42)34-19-16-32(17-20-34)33-18-23-44(39(26-33)45-46-30(4)29(3)31(5)47-45)49-41-13-9-7-11-36(41)38-25-28(2)15-22-43(38)49/h2*6-26H,1-5H3
InChIKeyLTZYBGMEHQVHEZ-UHFFFAOYSA-N
MW1265.62 g/mol
LogP23.09
Rot. Bonds8

About 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

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 (PubChem CID 159456270) has the molecular formula C90H72N8 and a molecular weight of 1265.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159456270
Molecular FormulaC90H72N8
Molecular Weight1265.62 g/mol
Exact Mass1264.59
IUPAC Name3-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
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3nc(C)c(C)c(C)n3)c2)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3nc(C)nc(C)c3C)c2)cc1
InChIInChI=1S/2C45H36N4/c1-27-14-21-42-37(24-27)35-10-6-8-12-40(35)48(42)34-19-16-32(17-20-34)33-18-23-44(39(26-33)45-29(3)30(4)46-31(5)47-45)49-41-13-9-7-11-36(41)38-25-28(2)15-22-43(38)49;1-27-14-21-42-37(24-27)35-10-6-8-12-40(35)48(42)34-19-16-32(17-20-34)33-18-23-44(39(26-33)45-46-30(4)29(3)31(5)47-45)49-41-13-9-7-11-36(41)38-25-28(2)15-22-43(38)49/h2*6-26H,1-5H3
InChIKeyLTZYBGMEHQVHEZ-UHFFFAOYSA-N
XLogP23.09
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.62
LogP ≤ 523.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole
CID 157495787
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
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
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 148758940
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
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-[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-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 137414587
9-[2-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole
CID 158390729
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
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
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232535

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3nc(C)c(C)c(C)n3)c2)cc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3nc(C)nc(C)c3C)c2)cc1.
What is the InChIKey of 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?
The InChIKey is LTZYBGMEHQVHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H36N4/c1-27-14-21-42-37(24-27)35-10-6-8-12-40(35)48(42)34-19-16-32(17-20-34)33-18-23-44(39(26-33)45-29(3)30(4)46-31(5)47-45)49-41-13-9-7-11-36(41)38-25-28(2)15-22-43(38)49;1-27-14-21-42-37(24-27)35-10-6-8-12-40(35)48(42)34-19-16-32(17-20-34)33-18-23-44(39(26-33)45-46-30(4)29(3)31(5)47-45)49-41-13-9-7-11-36(41)38-25-28(2)15-22-43(38)49/h2*6-26H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 1265.62 g/mol, XLogP of 23.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159456270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).