12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole

C51H30N4S2 — CID 164932975

IUPAC12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccccc2-c2nc(-c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-15-31(16-4-1)34-19-7-8-22-39(34)50-52-49(33-29-41(32-17-5-2-6-18-32)46-40-23-11-14-26-44(40)56-45(46)30-33)53-51(54-50)55-42-24-12-9-20-35(42)37-27-28-38-36-21-10-13-25-43(36)57-48(38)47(37)55/h1-30H
InChIKeyFIDNCKOXZNFXAJ-UHFFFAOYSA-N
MW762.96 g/mol
LogP14.37
Rot. Bonds5

About 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole

12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 164932975) has the molecular formula C51H30N4S2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID164932975
Molecular FormulaC51H30N4S2
Molecular Weight762.96 g/mol
Exact Mass762.19
IUPAC Name12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccccc2-c2nc(-c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-15-31(16-4-1)34-19-7-8-22-39(34)50-52-49(33-29-41(32-17-5-2-6-18-32)46-40-23-11-14-26-44(40)56-45(46)30-33)53-51(54-50)55-42-24-12-9-20-35(42)37-27-28-38-36-21-10-13-25-43(36)57-48(38)47(37)55/h1-30H
InChIKeyFIDNCKOXZNFXAJ-UHFFFAOYSA-N
XLogP14.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[2,3-a]carbazole
CID 146280676
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730146
12-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 153459604
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,6-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165507
12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165045068
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-[4-[4-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylphenyl)-2-(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-nonaen-14-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 163846458
12-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 164953755
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141969
12-[4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156554624
3-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730115
12-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154946566
12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888288

Frequently Asked Questions

What is the IUPAC name of 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole (CID 164932975) is 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2ccccc2-c2nc(-c3cc(-c4ccccc4)c4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.
What is the InChIKey of 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is FIDNCKOXZNFXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S2/c1-3-15-31(16-4-1)34-19-7-8-22-39(34)50-52-49(33-29-41(32-17-5-2-6-18-32)46-40-23-11-14-26-44(40)56-45(46)30-33)53-51(54-50)55-42-24-12-9-20-35(42)37-27-28-38-36-21-10-13-25-43(36)57-48(38)47(37)55/h1-30H.
What are the key properties of 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole?
12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 762.96 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(1-phenyldibenzothiophen-3-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 164932975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).