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

C75H50N6S — CID 90211178

IUPAC4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-n5c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc65)cccc34)n2)cc1
InChIInChI=1S/C75H50N6S/c1-7-21-53(22-8-1)73-76-74(54-23-9-2-10-24-54)78-75(77-73)65-35-19-33-63-64-34-20-36-70(72(64)82-71(63)65)81-68-47-41-55(51-37-43-61(44-38-51)79(57-25-11-3-12-26-57)58-27-13-4-14-28-58)49-66(68)67-50-56(42-48-69(67)81)52-39-45-62(46-40-52)80(59-29-15-5-16-30-59)60-31-17-6-18-32-60/h1-50H
InChIKeyWOZHOYGFSGOQEB-UHFFFAOYSA-N
MW1067.33 g/mol
LogP20.61
Rot. Bonds12

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

4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 90211178) has the molecular formula C75H50N6S and a molecular weight of 1067.33 g/mol. Its IUPAC name is 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
PubChem CID90211178
Molecular FormulaC75H50N6S
Molecular Weight1067.33 g/mol
Exact Mass1066.38
IUPAC Name4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-n5c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc65)cccc34)n2)cc1
InChIInChI=1S/C75H50N6S/c1-7-21-53(22-8-1)73-76-74(54-23-9-2-10-24-54)78-75(77-73)65-35-19-33-63-64-34-20-36-70(72(64)82-71(63)65)81-68-47-41-55(51-37-43-61(44-38-51)79(57-25-11-3-12-26-57)58-27-13-4-14-28-58)49-66(68)67-50-56(42-48-69(67)81)52-39-45-62(46-40-52)80(59-29-15-5-16-30-59)60-31-17-6-18-32-60/h1-50H
InChIKeyWOZHOYGFSGOQEB-UHFFFAOYSA-N
XLogP20.61
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.33
LogP ≤ 520.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole
CID 170412256
3-[3-[4-(18-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-18-yl]carbazole
CID 166980225
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211165
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211464
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 170412246
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,12-diphenyl-[1]benzothiolo[2,3-a]carbazole
CID 163588004
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169011339
3-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 161473912

Frequently Asked Questions

What is the IUPAC name of 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline (CID 90211178) is 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-n5c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc65)cccc34)n2)cc1.
What is the InChIKey of 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is WOZHOYGFSGOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N6S/c1-7-21-53(22-8-1)73-76-74(54-23-9-2-10-24-54)78-75(77-73)65-35-19-33-63-64-34-20-36-70(72(64)82-71(63)65)81-68-47-41-55(51-37-43-61(44-38-51)79(57-25-11-3-12-26-57)58-27-13-4-14-28-58)49-66(68)67-50-56(42-48-69(67)81)52-39-45-62(46-40-52)80(59-29-15-5-16-30-59)60-31-17-6-18-32-60/h1-50H.
What are the key properties of 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline?
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 1067.33 g/mol, XLogP of 20.61, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 90211178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).