9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole

C57H37N5S — CID 163568640

IUPAC9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3c(-c4ccc5sc6ccccc6c5c4)ccc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C57H37N5S/c1-3-17-36(18-4-1)55-58-56(37-19-5-2-6-20-37)60-57(59-55)53-39(38-31-34-52-45(35-38)44-25-11-16-30-51(44)63-52)32-33-50(61-46-26-12-7-21-40(46)41-22-8-13-27-47(41)61)54(53)62-48-28-14-9-23-42(48)43-24-10-15-29-49(43)62/h1-35,55H,(H,58,59,60)
InChIKeyLTPAQKGTYIOMDB-UHFFFAOYSA-N
MW824.03 g/mol
LogP14.41
Rot. Bonds6

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

9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole (PubChem CID 163568640) has the molecular formula C57H37N5S and a molecular weight of 824.03 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
PubChem CID163568640
Molecular FormulaC57H37N5S
Molecular Weight824.03 g/mol
Exact Mass823.28
IUPAC Name9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
SMILESc1ccc(C2=NC(c3c(-c4ccc5sc6ccccc6c5c4)ccc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C57H37N5S/c1-3-17-36(18-4-1)55-58-56(37-19-5-2-6-20-37)60-57(59-55)53-39(38-31-34-52-45(35-38)44-25-11-16-30-51(44)63-52)32-33-50(61-46-26-12-7-21-40(46)41-22-8-13-27-47(41)61)54(53)62-48-28-14-9-23-42(48)43-24-10-15-29-49(43)62/h1-35,55H,(H,58,59,60)
InChIKeyLTPAQKGTYIOMDB-UHFFFAOYSA-N
XLogP14.41
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.03
LogP ≤ 514.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-2-yl-12-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163940278
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
9-[17-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664251
7-[4-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-2,6-diphenylphenyl]-[1]benzothiolo[2,3-b]carbazole
CID 165071133
3-dibenzothiophen-2-yl-9-[1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]carbazole
CID 163899540
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
7-[4-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 166961463
9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555390
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole (CID 163568640) is 9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole is c1ccc(C2=NC(c3c(-c4ccc5sc6ccccc6c5c4)ccc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
The InChIKey is LTPAQKGTYIOMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5S/c1-3-17-36(18-4-1)55-58-56(37-19-5-2-6-20-37)60-57(59-55)53-39(38-31-34-52-45(35-38)44-25-11-16-30-51(44)63-52)32-33-50(61-46-26-12-7-21-40(46)41-22-8-13-27-47(41)61)54(53)62-48-28-14-9-23-42(48)43-24-10-15-29-49(43)62/h1-35,55H,(H,58,59,60).
What are the key properties of 9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole?
9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole has a molecular weight of 824.03 g/mol, XLogP of 14.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-4-dibenzothiophen-2-yl-3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole is sourced from PubChem (CID 163568640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).