N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine

C52H35N5O — CID 163709251

IUPACN,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine
SMILESc1ccc(-c2nc(Oc3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc(N(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C52H35N5O/c1-5-18-36(19-6-1)52-53-48(55(37-20-7-2-8-21-37)38-22-9-3-10-23-38)35-49(54-52)58-41-27-17-26-40(34-41)57-47-31-16-14-29-43(47)45-33-32-44-42-28-13-15-30-46(42)56(50(44)51(45)57)39-24-11-4-12-25-39/h1-35H
InChIKeyKHTPFFYNIVNGEG-UHFFFAOYSA-N
MW745.89 g/mol
LogP13.60
Rot. Bonds8

About N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine

N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine (PubChem CID 163709251) has the molecular formula C52H35N5O and a molecular weight of 745.89 g/mol. Its IUPAC name is N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine
PubChem CID163709251
Molecular FormulaC52H35N5O
Molecular Weight745.89 g/mol
Exact Mass745.28
IUPAC NameN,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine
SMILESc1ccc(-c2nc(Oc3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc(N(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C52H35N5O/c1-5-18-36(19-6-1)52-53-48(55(37-20-7-2-8-21-37)38-22-9-3-10-23-38)35-49(54-52)58-41-27-17-26-40(34-41)57-47-31-16-14-29-43(47)45-33-32-44-42-28-13-15-30-46(42)56(50(44)51(45)57)39-24-11-4-12-25-39/h1-35H
InChIKeyKHTPFFYNIVNGEG-UHFFFAOYSA-N
XLogP13.60
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.89
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
N,N,4-triphenyl-6-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-1,3,5-triazin-2-amine
CID 118528315
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852
1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383
12-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
6-carbazol-9-yl-N,2-diphenyl-N-(3-phenylphenyl)pyrimidin-4-amine
CID 59194555
3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)-N,N-diphenylaniline
CID 118315677
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901505
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 158055885
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098

Frequently Asked Questions

What is the IUPAC name of N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine?
The IUPAC name of N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine (CID 163709251) is N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine?
The canonical SMILES for N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine is c1ccc(-c2nc(Oc3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3)cc(N(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine?
The InChIKey is KHTPFFYNIVNGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5O/c1-5-18-36(19-6-1)52-53-48(55(37-20-7-2-8-21-37)38-22-9-3-10-23-38)35-49(54-52)58-41-27-17-26-40(34-41)57-47-31-16-14-29-43(47)45-33-32-44-42-28-13-15-30-46(42)56(50(44)51(45)57)39-24-11-4-12-25-39/h1-35H.
What are the key properties of N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine?
N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine has a molecular weight of 745.89 g/mol, XLogP of 13.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-triphenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 163709251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).