4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline

C57H38N6 — CID 163848012

IUPAC4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C57H38N6/c1-6-18-40(19-7-1)55-58-56(41-20-8-2-9-21-41)60-57(59-55)63-52-35-32-42(39-30-33-46(34-31-39)61(43-22-10-3-11-23-43)44-24-12-4-13-25-44)36-48(52)50-38-53-49(37-54(50)63)47-28-16-17-29-51(47)62(53)45-26-14-5-15-27-45/h1-38H
InChIKeyORWPRXVKRQUSPZ-UHFFFAOYSA-N
MW806.97 g/mol
LogP14.54
Rot. Bonds8

About 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline

4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline (PubChem CID 163848012) has the molecular formula C57H38N6 and a molecular weight of 806.97 g/mol. Its IUPAC name is 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
PubChem CID163848012
Molecular FormulaC57H38N6
Molecular Weight806.97 g/mol
Exact Mass806.32
IUPAC Name4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C57H38N6/c1-6-18-40(19-7-1)55-58-56(41-20-8-2-9-21-41)60-57(59-55)63-52-35-32-42(39-30-33-46(34-31-39)61(43-22-10-3-11-23-43)44-24-12-4-13-25-44)36-48(52)50-38-53-49(37-54(50)63)47-28-16-17-29-51(47)62(53)45-26-14-5-15-27-45/h1-38H
InChIKeyORWPRXVKRQUSPZ-UHFFFAOYSA-N
XLogP14.54
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-N,N-diphenylaniline
CID 88866654
N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157474914
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
4-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211161
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline (CID 163848012) is 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline?
The InChIKey is ORWPRXVKRQUSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N6/c1-6-18-40(19-7-1)55-58-56(41-20-8-2-9-21-41)60-57(59-55)63-52-35-32-42(39-30-33-46(34-31-39)61(43-22-10-3-11-23-43)44-24-12-4-13-25-44)36-48(52)50-38-53-49(37-54(50)63)47-28-16-17-29-51(47)62(53)45-26-14-5-15-27-45/h1-38H.
What are the key properties of 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline?
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline has a molecular weight of 806.97 g/mol, XLogP of 14.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 163848012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).