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

C61H62N4 — CID 153304504

IUPAC9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole
SMILESCc1cc(C)c(-c2nc(-c3cc(C)c(-n4c5ccc(-c6c(C)c(C)cc(C)c6C)cc5c5cc(-c6c(C)c(C)cc(C)c6C)ccc54)c(C)c3)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C61H62N4/c1-31-21-37(7)54(38(8)22-31)60-62-59(63-61(64-60)55-39(9)23-32(2)24-40(55)10)49-27-41(11)58(42(12)28-49)65-52-19-17-47(56-43(13)33(3)25-34(4)44(56)14)29-50(52)51-30-48(18-20-53(51)65)57-45(15)35(5)26-36(6)46(57)16/h17-30H,1-16H3
InChIKeyOCFWUGKSBGFQNG-UHFFFAOYSA-N
MW851.19 g/mol
LogP16.24
Rot. Bonds6

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

9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole (PubChem CID 153304504) has the molecular formula C61H62N4 and a molecular weight of 851.19 g/mol. Its IUPAC name is 9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole
PubChem CID153304504
Molecular FormulaC61H62N4
Molecular Weight851.19 g/mol
Exact Mass850.50
IUPAC Name9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole
SMILESCc1cc(C)c(-c2nc(-c3cc(C)c(-n4c5ccc(-c6c(C)c(C)cc(C)c6C)cc5c5cc(-c6c(C)c(C)cc(C)c6C)ccc54)c(C)c3)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C61H62N4/c1-31-21-37(7)54(38(8)22-31)60-62-59(63-61(64-60)55-39(9)23-32(2)24-40(55)10)49-27-41(11)58(42(12)28-49)65-52-19-17-47(56-43(13)33(3)25-34(4)44(56)14)29-50(52)51-30-48(18-20-53(51)65)57-45(15)35(5)26-36(6)46(57)16/h17-30H,1-16H3
InChIKeyOCFWUGKSBGFQNG-UHFFFAOYSA-N
XLogP16.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.19
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2,6-dimethyl-4-(4-methylsulfanyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-6-(2,3,5,6-tetramethylphenyl)carbazole
CID 130354747
2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58250693
9-[3-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,4,6-trimethylphenyl]-3-phenylcarbazole
CID 130353572
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 118518202
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-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 161070492
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(2,4,6-trimethylphenyl)carbazole
CID 146179587
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146280880
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134320909
9-[4-[4-(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-dimethoxycarbazole
CID 130353652
3-phenyl-9-[2,4,6-trimethyl-3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130353291
3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232676

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole?
The IUPAC name of 9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole (CID 153304504) is 9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole.
What is the SMILES notation for 9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole?
The canonical SMILES for 9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole is Cc1cc(C)c(-c2nc(-c3cc(C)c(-n4c5ccc(-c6c(C)c(C)cc(C)c6C)cc5c5cc(-c6c(C)c(C)cc(C)c6C)ccc54)c(C)c3)nc(-c3c(C)cc(C)cc3C)n2)c(C)c1.
What is the InChIKey of 9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole?
The InChIKey is OCFWUGKSBGFQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H62N4/c1-31-21-37(7)54(38(8)22-31)60-62-59(63-61(64-60)55-39(9)23-32(2)24-40(55)10)49-27-41(11)58(42(12)28-49)65-52-19-17-47(56-43(13)33(3)25-34(4)44(56)14)29-50(52)51-30-48(18-20-53(51)65)57-45(15)35(5)26-36(6)46(57)16/h17-30H,1-16H3.
What are the key properties of 9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole?
9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole has a molecular weight of 851.19 g/mol, XLogP of 16.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenyl]-3,6-bis(2,3,5,6-tetramethylphenyl)carbazole is sourced from PubChem (CID 153304504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).