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

C51H34N4S — CID 139555379

IUPAC9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(C4=NC(c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c5)=NC(c5ccccc5)N4)cc3)cc2)cc1
InChIInChI=1S/C51H34N4S/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)36-23-25-38(26-24-36)50-52-49(37-13-5-2-6-14-37)53-51(54-50)39-27-29-42-41-15-7-9-17-45(41)55(46(42)31-39)40-28-30-48-44(32-40)43-16-8-10-18-47(43)56-48/h1-32,49H,(H,52,53,54)
InChIKeyLHYXHPJJTKRXBL-UHFFFAOYSA-N
MW734.93 g/mol
LogP12.98
Rot. Bonds6

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

9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole (PubChem CID 139555379) has the molecular formula C51H34N4S and a molecular weight of 734.93 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
PubChem CID139555379
Molecular FormulaC51H34N4S
Molecular Weight734.93 g/mol
Exact Mass734.25
IUPAC Name9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(C4=NC(c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c5)=NC(c5ccccc5)N4)cc3)cc2)cc1
InChIInChI=1S/C51H34N4S/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)36-23-25-38(26-24-36)50-52-49(37-13-5-2-6-14-37)53-51(54-50)39-27-29-42-41-15-7-9-17-45(41)55(46(42)31-39)40-28-30-48-44(32-40)43-16-8-10-18-47(43)56-48/h1-32,49H,(H,52,53,54)
InChIKeyLHYXHPJJTKRXBL-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-(8-phenyldibenzothiophen-2-yl)-2-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555390
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-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958
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-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
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
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
14-[3-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170106111
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole (CID 139555379) is 9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole is c1ccc(-c2ccc(-c3ccc(C4=NC(c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c5)=NC(c5ccccc5)N4)cc3)cc2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
The InChIKey is LHYXHPJJTKRXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4S/c1-3-11-33(12-4-1)34-19-21-35(22-20-34)36-23-25-38(26-24-36)50-52-49(37-13-5-2-6-14-37)53-51(54-50)39-27-29-42-41-15-7-9-17-45(41)55(46(42)31-39)40-28-30-48-44(32-40)43-16-8-10-18-47(43)56-48/h1-32,49H,(H,52,53,54).
What are the key properties of 9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole?
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-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-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole is sourced from PubChem (CID 139555379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).