9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole

C47H40N4 — CID 157495787

IUPAC9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)c(-c3nc(C)nc(C)c3C)c2)cc1
InChIInChI=1S/C47H40N4/c1-27-8-17-42-37(22-27)38-23-28(2)9-18-43(38)50(42)36-15-12-34(13-16-36)35-14-21-46(41(26-35)47-31(5)32(6)48-33(7)49-47)51-44-19-10-29(3)24-39(44)40-25-30(4)11-20-45(40)51/h8-26H,1-7H3
InChIKeyUDYDPCVPHWDFOB-UHFFFAOYSA-N
MW660.86 g/mol
LogP12.16
Rot. Bonds4

About 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole

9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 157495787) has the molecular formula C47H40N4 and a molecular weight of 660.86 g/mol. Its IUPAC name is 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole
PubChem CID157495787
Molecular FormulaC47H40N4
Molecular Weight660.86 g/mol
Exact Mass660.33
IUPAC Name9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)c(-c3nc(C)nc(C)c3C)c2)cc1
InChIInChI=1S/C47H40N4/c1-27-8-17-42-37(22-27)38-23-28(2)9-18-43(38)50(42)36-15-12-34(13-16-36)35-14-21-46(41(26-35)47-31(5)32(6)48-33(7)49-47)51-44-19-10-29(3)24-39(44)40-25-30(4)11-20-45(40)51/h8-26H,1-7H3
InChIKeyUDYDPCVPHWDFOB-UHFFFAOYSA-N
XLogP12.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
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
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
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
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-(2,6-dimethylpyrimidin-4-yl)-4-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole
CID 158390729
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
CID 140923989
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-(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
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole (CID 157495787) is 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)c(-c3nc(C)nc(C)c3C)c2)cc1.
What is the InChIKey of 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is UDYDPCVPHWDFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N4/c1-27-8-17-42-37(22-27)38-23-28(2)9-18-43(38)50(42)36-15-12-34(13-16-36)35-14-21-46(41(26-35)47-31(5)32(6)48-33(7)49-47)51-44-19-10-29(3)24-39(44)40-25-30(4)11-20-45(40)51/h8-26H,1-7H3.
What are the key properties of 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole?
9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 660.86 g/mol, XLogP of 12.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-2-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 157495787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).