4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline

C51H37N5 — CID 137222615

IUPAC4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5n(-c5ccccc5)c4c3)=N2)cc1
InChIInChI=1S/C51H37N5/c1-6-16-37(17-7-1)49-52-50(38-18-8-2-9-19-38)54-51(53-49)40-29-33-46-45-32-28-39(34-47(45)56(48(46)35-40)43-24-14-5-15-25-43)36-26-30-44(31-27-36)55(41-20-10-3-11-21-41)42-22-12-4-13-23-42/h1-35,49H,(H,52,53,54)
InChIKeyQZRHZWDEDDTPEK-UHFFFAOYSA-N
MW719.89 g/mol
LogP12.42
Rot. Bonds8

About 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline

4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline (PubChem CID 137222615) has the molecular formula C51H37N5 and a molecular weight of 719.89 g/mol. Its IUPAC name is 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline
PubChem CID137222615
Molecular FormulaC51H37N5
Molecular Weight719.89 g/mol
Exact Mass719.30
IUPAC Name4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5n(-c5ccccc5)c4c3)=N2)cc1
InChIInChI=1S/C51H37N5/c1-6-16-37(17-7-1)49-52-50(38-18-8-2-9-19-38)54-51(53-49)40-29-33-46-45-32-28-39(34-47(45)56(48(46)35-40)43-24-14-5-15-25-43)36-26-30-44(31-27-36)55(41-20-10-3-11-21-41)42-22-12-4-13-23-42/h1-35,49H,(H,52,53,54)
InChIKeyQZRHZWDEDDTPEK-UHFFFAOYSA-N
XLogP12.42
TPSA44.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 512.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958
3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 138513984
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-[2,4,6-tri(carbazol-9-yl)-3,5-diisocyanophenyl]carbazole
CID 159271639
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
2-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)triphenylen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 163568782
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene
CID 145132549
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline (CID 137222615) is 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline is c1ccc(C2=NC(c3ccccc3)NC(c3ccc4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5n(-c5ccccc5)c4c3)=N2)cc1.
What is the InChIKey of 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline?
The InChIKey is QZRHZWDEDDTPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5/c1-6-16-37(17-7-1)49-52-50(38-18-8-2-9-19-38)54-51(53-49)40-29-33-46-45-32-28-39(34-47(45)56(48(46)35-40)43-24-14-5-15-25-43)36-26-30-44(31-27-36)55(41-20-10-3-11-21-41)42-22-12-4-13-23-42/h1-35,49H,(H,52,53,54).
What are the key properties of 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline?
4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline has a molecular weight of 719.89 g/mol, XLogP of 12.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 137222615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).