9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole

C51H42N4 — CID 146179587

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccc(-c4c(C)cc(C)cc4C)cc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1
InChIInChI=1S/C51H42N4/c1-31-24-33(3)47(34(4)25-31)39-21-23-45-44(29-39)43-22-20-40(48-35(5)26-32(2)27-36(48)6)30-46(43)55(45)42-19-13-18-41(28-42)51-53-49(37-14-9-7-10-15-37)52-50(54-51)38-16-11-8-12-17-38/h7-30H,1-6H3
InChIKeyMFLUBCJWMLQIBY-UHFFFAOYSA-N
MW710.93 g/mol
LogP13.15
Rot. Bonds6

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole (PubChem CID 146179587) has the molecular formula C51H42N4 and a molecular weight of 710.93 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole
PubChem CID146179587
Molecular FormulaC51H42N4
Molecular Weight710.93 g/mol
Exact Mass710.34
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccc(-c4c(C)cc(C)cc4C)cc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1
InChIInChI=1S/C51H42N4/c1-31-24-33(3)47(34(4)25-31)39-21-23-45-44(29-39)43-22-20-40(48-35(5)26-32(2)27-36(48)6)30-46(43)55(45)42-19-13-18-41(28-42)51-53-49(37-14-9-7-10-15-37)52-50(54-51)38-16-11-8-12-17-38/h7-30H,1-6H3
InChIKeyMFLUBCJWMLQIBY-UHFFFAOYSA-N
XLogP13.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.93
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 146179751
3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597221
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 160597833
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
2-phenyl-9-(3-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087458
dimethyl(phosphanyl)phosphane;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 161346408
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146281302
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole
CID 145322224

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole (CID 146179587) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2ccc(-c4c(C)cc(C)cc4C)cc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole?
The InChIKey is MFLUBCJWMLQIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N4/c1-31-24-33(3)47(34(4)25-31)39-21-23-45-44(29-39)43-22-20-40(48-35(5)26-32(2)27-36(48)6)30-46(43)55(45)42-19-13-18-41(28-42)51-53-49(37-14-9-7-10-15-37)52-50(54-51)38-16-11-8-12-17-38/h7-30H,1-6H3.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole has a molecular weight of 710.93 g/mol, XLogP of 13.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 146179587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).