9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole

C51H34N4S — CID 139555390

IUPAC9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4c5ccccc5n(-c5ccc6sc7ccc(-c8ccccc8)cc7c6c5)c4c3)=NC(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C51H34N4S/c1-4-13-33(14-5-1)36-19-12-20-38(29-36)50-52-49(35-17-8-3-9-18-35)53-51(54-50)39-23-26-42-41-21-10-11-22-45(41)55(46(42)31-39)40-25-28-48-44(32-40)43-30-37(24-27-47(43)56-48)34-15-6-2-7-16-34/h1-32,50H,(H,52,53,54)
InChIKeyRYULLMLJRFSKSV-UHFFFAOYSA-N
MW734.93 g/mol
LogP12.98
Rot. Bonds6

About 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole

9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole (PubChem CID 139555390) has the molecular formula C51H34N4S and a molecular weight of 734.93 g/mol. Its IUPAC name is 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole.

Molecular Properties

Compound Name9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
PubChem CID139555390
Molecular FormulaC51H34N4S
Molecular Weight734.93 g/mol
Exact Mass734.25
IUPAC Name9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4c5ccccc5n(-c5ccc6sc7ccc(-c8ccccc8)cc7c6c5)c4c3)=NC(c3cccc(-c4ccccc4)c3)N2)cc1
InChIInChI=1S/C51H34N4S/c1-4-13-33(14-5-1)36-19-12-20-38(29-36)50-52-49(35-17-8-3-9-18-35)53-51(54-50)39-23-26-42-41-21-10-11-22-45(41)55(46(42)31-39)40-25-28-48-44(32-40)43-30-37(24-27-47(43)56-48)34-15-6-2-7-16-34/h1-32,50H,(H,52,53,54)
InChIKeyRYULLMLJRFSKSV-UHFFFAOYSA-N
XLogP12.98
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.93
LogP ≤ 512.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
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
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
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
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
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
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389

Frequently Asked Questions

What is the IUPAC name of 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The IUPAC name of 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole (CID 139555390) is 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole.
What is the SMILES notation for 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The canonical SMILES for 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole is c1ccc(C2=NC(c3ccc4c5ccccc5n(-c5ccc6sc7ccc(-c8ccccc8)cc7c6c5)c4c3)=NC(c3cccc(-c4ccccc4)c3)N2)cc1.
What is the InChIKey of 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The InChIKey is RYULLMLJRFSKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4S/c1-4-13-33(14-5-1)36-19-12-20-38(29-36)50-52-49(35-17-8-3-9-18-35)53-51(54-50)39-23-26-42-41-21-10-11-22-45(41)55(46(42)31-39)40-25-28-48-44(32-40)43-30-37(24-27-47(43)56-48)34-15-6-2-7-16-34/h1-32,50H,(H,52,53,54).
What are the key properties of 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole has a molecular weight of 734.93 g/mol, XLogP of 12.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole is sourced from PubChem (CID 139555390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).