2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline

C61H46N6 — CID 135130837

IUPAC2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5c(C)cccc5c5cccc(C)c54)c3N(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C61H46N6/c1-39-21-17-33-48-49-34-18-22-40(2)55(49)66(54(39)48)52-37-45(61-63-59(43-25-9-5-10-26-43)62-60(64-61)44-27-11-6-12-28-44)38-53(58(52)65(46-29-13-7-14-30-46)47-31-15-8-16-32-47)67-56-41(3)23-19-35-50(56)51-36-20-24-42(4)57(51)67/h5-38H,1-4H3
InChIKeyNTUNTQVNSMYPOH-UHFFFAOYSA-N
MW863.08 g/mol
LogP15.77
Rot. Bonds8

About 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline

2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (PubChem CID 135130837) has the molecular formula C61H46N6 and a molecular weight of 863.08 g/mol. Its IUPAC name is 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
PubChem CID135130837
Molecular FormulaC61H46N6
Molecular Weight863.08 g/mol
Exact Mass862.38
IUPAC Name2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5c(C)cccc5c5cccc(C)c54)c3N(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C61H46N6/c1-39-21-17-33-48-49-34-18-22-40(2)55(49)66(54(39)48)52-37-45(61-63-59(43-25-9-5-10-26-43)62-60(64-61)44-27-11-6-12-28-44)38-53(58(52)65(46-29-13-7-14-30-46)47-31-15-8-16-32-47)67-56-41(3)23-19-35-50(56)51-36-20-24-42(4)57(51)67/h5-38H,1-4H3
InChIKeyNTUNTQVNSMYPOH-UHFFFAOYSA-N
XLogP15.77
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.08
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-8,14-diazatetracyclo[7.5.0.02,7.010,12]tetradeca-1(14),2,4,6,9,12-hexaene
CID 163857732
8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-dimethyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 135131117
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-N-(4-carbazol-9-ylphenyl)-2,6-diphenyl-N-(3-phenylphenyl)aniline
CID 164970211
9-[4,6-bis(2-phenylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-N-(2-methylphenyl)-N-phenylcarbazol-1-amine
CID 170204693
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 90211166
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630106
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
CID 126690294
N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-N,5,12-triphenylindolo[3,2-c]carbazol-10-amine
CID 167382466
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
CID 126690357
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630101
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,23-diphenyl-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2(33),3,5,7(12),8,10,14,16,18(31),20(25),21,23,26,28,30(32)-pentadecaene
CID 169047961

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The IUPAC name of 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline (CID 135130837) is 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is Cc1cccc2c3cccc(C)c3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5c(C)cccc5c5cccc(C)c54)c3N(c3ccccc3)c3ccccc3)c12.
What is the InChIKey of 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
The InChIKey is NTUNTQVNSMYPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N6/c1-39-21-17-33-48-49-34-18-22-40(2)55(49)66(54(39)48)52-37-45(61-63-59(43-25-9-5-10-26-43)62-60(64-61)44-27-11-6-12-28-44)38-53(58(52)65(46-29-13-7-14-30-46)47-31-15-8-16-32-47)67-56-41(3)23-19-35-50(56)51-36-20-24-42(4)57(51)67/h5-38H,1-4H3.
What are the key properties of 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline?
2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline has a molecular weight of 863.08 g/mol, XLogP of 15.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 135130837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).