N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine

C51H34N6 — CID 118528315

IUPACN,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)nc(N(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C51H34N6/c1-5-18-35(19-6-1)49-52-50(54-51(53-49)55(37-21-7-2-8-22-37)38-23-9-3-10-24-38)36-20-17-27-40(34-36)57-44-30-15-13-28-41(44)42-32-33-46-47(48(42)57)43-29-14-16-31-45(43)56(46)39-25-11-4-12-26-39/h1-34H
InChIKeyHKPWSPWZRSGFAD-UHFFFAOYSA-N
MW730.88 g/mol
LogP12.87
Rot. Bonds7

About N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine

N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 118528315) has the molecular formula C51H34N6 and a molecular weight of 730.88 g/mol. Its IUPAC name is N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine
PubChem CID118528315
Molecular FormulaC51H34N6
Molecular Weight730.88 g/mol
Exact Mass730.28
IUPAC NameN,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)nc(N(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C51H34N6/c1-5-18-35(19-6-1)49-52-50(54-51(53-49)55(37-21-7-2-8-22-37)38-23-9-3-10-24-38)36-20-17-27-40(34-36)57-44-30-15-13-28-41(44)42-32-33-46-47(48(42)57)43-29-14-16-31-45(43)56(46)39-25-11-4-12-26-39/h1-34H
InChIKeyHKPWSPWZRSGFAD-UHFFFAOYSA-N
XLogP12.87
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.88
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-(4-methylphenyl)-N-phenylcarbazol-3-amine;N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine
CID 158708437
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 88917516
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 156530868
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159270827
12-(3-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 134507233
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037201
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268443
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412
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

Frequently Asked Questions

What is the IUPAC name of N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine (CID 118528315) is N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)nc(N(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is HKPWSPWZRSGFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N6/c1-5-18-35(19-6-1)49-52-50(54-51(53-49)55(37-21-7-2-8-22-37)38-23-9-3-10-24-38)36-20-17-27-40(34-36)57-44-30-15-13-28-41(44)42-32-33-46-47(48(42)57)43-29-14-16-31-45(43)56(46)39-25-11-4-12-26-39/h1-34H.
What are the key properties of N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine?
N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 730.88 g/mol, XLogP of 12.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 118528315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).