4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

C139H98N12 — CID 161007290

IUPAC4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(Cc3ccc(-n4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C70H50N6.C69H48N6/c1-7-19-53(20-8-1)69-71-68(72-70(73-69)54-21-9-2-10-22-54)47-50-31-39-63(40-32-50)76-66-45-37-55(51-33-41-61(42-34-51)74(57-23-11-3-12-24-57)58-25-13-4-14-26-58)48-64(66)65-49-56(38-46-67(65)76)52-35-43-62(44-36-52)75(59-27-15-5-16-28-59)60-29-17-6-18-30-60;1-7-19-51(20-8-1)67-70-68(52-21-9-2-10-22-52)72-69(71-67)53-35-43-62(44-36-53)75-65-45-37-54(49-31-39-60(40-32-49)73(56-23-11-3-12-24-56)57-25-13-4-14-26-57)47-63(65)64-48-55(38-46-66(64)75)50-33-41-61(42-34-50)74(58-27-15-5-16-28-58)59-29-17-6-18-30-59/h1-46,48-49H,47H2;1-48H
InChIKeyTWRAJXWHWXLINA-UHFFFAOYSA-N
MW1936.40 g/mol
LogP36.41
Rot. Bonds25

About 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline

4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 161007290) has the molecular formula C139H98N12 and a molecular weight of 1936.40 g/mol. Its IUPAC name is 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
PubChem CID161007290
Molecular FormulaC139H98N12
Molecular Weight1936.40 g/mol
Exact Mass1934.80
IUPAC Name4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(Cc3ccc(-n4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C70H50N6.C69H48N6/c1-7-19-53(20-8-1)69-71-68(72-70(73-69)54-21-9-2-10-22-54)47-50-31-39-63(40-32-50)76-66-45-37-55(51-33-41-61(42-34-51)74(57-23-11-3-12-24-57)58-25-13-4-14-26-58)48-64(66)65-49-56(38-46-67(65)76)52-35-43-62(44-36-52)75(59-27-15-5-16-28-59)60-29-17-6-18-30-60;1-7-19-51(20-8-1)67-70-68(52-21-9-2-10-22-52)72-69(71-67)53-35-43-62(44-36-53)75-65-45-37-54(49-31-39-60(40-32-49)73(56-23-11-3-12-24-56)57-25-13-4-14-26-57)47-63(65)64-48-55(38-46-66(64)75)50-33-41-61(42-34-50)74(58-27-15-5-16-28-58)59-29-17-6-18-30-59/h1-46,48-49H,47H2;1-48H
InChIKeyTWRAJXWHWXLINA-UHFFFAOYSA-N
XLogP36.41
TPSA100.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001936.40
LogP ≤ 536.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline with MolForge

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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-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359
4-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211161
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
CID 163848012
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90308422
9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole
CID 146506354
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (CID 161007290) is 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(Cc3ccc(-n4c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc54)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is TWRAJXWHWXLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N6.C69H48N6/c1-7-19-53(20-8-1)69-71-68(72-70(73-69)54-21-9-2-10-22-54)47-50-31-39-63(40-32-50)76-66-45-37-55(51-33-41-61(42-34-51)74(57-23-11-3-12-24-57)58-25-13-4-14-26-58)48-64(66)65-49-56(38-46-67(65)76)52-35-43-62(44-36-52)75(59-27-15-5-16-28-59)60-29-17-6-18-30-60;1-7-19-51(20-8-1)67-70-68(52-21-9-2-10-22-52)72-69(71-67)53-35-43-62(44-36-53)75-65-45-37-54(49-31-39-60(40-32-49)73(56-23-11-3-12-24-56)57-25-13-4-14-26-57)47-63(65)64-48-55(38-46-66(64)75)50-33-41-61(42-34-50)74(58-27-15-5-16-28-58)59-29-17-6-18-30-59/h1-46,48-49H,47H2;1-48H.
What are the key properties of 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 1936.40 g/mol, XLogP of 36.41, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 161007290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).