9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole

C51H34N4OS — CID 163879853

IUPAC9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc4sc5cccc(-c6cccc7oc8cccc(C9=NC(c%10ccccc%10)=NC(c%10ccccc%10)N9)c8c67)c5c4c3)c3ccccc23)CC1
InChIInChI=1S/C51H34N4OS/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)38-22-12-26-43-48(38)47-37(20-11-25-42(47)56-43)36-21-13-27-45-46(36)39-30-33(28-29-44(39)57-45)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-9,11-23,25-30,49H,10,24H2,(H,52,53,54)
InChIKeyPSEKSGFNTRIPFN-UHFFFAOYSA-N
MW750.93 g/mol
LogP13.02
Rot. Bonds5

About 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole

9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole (PubChem CID 163879853) has the molecular formula C51H34N4OS and a molecular weight of 750.93 g/mol. Its IUPAC name is 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole
PubChem CID163879853
Molecular FormulaC51H34N4OS
Molecular Weight750.93 g/mol
Exact Mass750.25
IUPAC Name9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc4sc5cccc(-c6cccc7oc8cccc(C9=NC(c%10ccccc%10)=NC(c%10ccccc%10)N9)c8c67)c5c4c3)c3ccccc23)CC1
InChIInChI=1S/C51H34N4OS/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)38-22-12-26-43-48(38)47-37(20-11-25-42(47)56-43)36-21-13-27-45-46(36)39-30-33(28-29-44(39)57-45)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-9,11-23,25-30,49H,10,24H2,(H,52,53,54)
InChIKeyPSEKSGFNTRIPFN-UHFFFAOYSA-N
XLogP13.02
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.93
LogP ≤ 513.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole with MolForge

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Related Compounds

9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
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
6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327299
7-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]-9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-1,2-dihydrocarbazole
CID 137208678
5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155430303
2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 137285252
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole
CID 170074157

Frequently Asked Questions

What is the IUPAC name of 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole (CID 163879853) is 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3ccc4sc5cccc(-c6cccc7oc8cccc(C9=NC(c%10ccccc%10)=NC(c%10ccccc%10)N9)c8c67)c5c4c3)c3ccccc23)CC1.
What is the InChIKey of 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole?
The InChIKey is PSEKSGFNTRIPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4OS/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)38-22-12-26-43-48(38)47-37(20-11-25-42(47)56-43)36-21-13-27-45-46(36)39-30-33(28-29-44(39)57-45)55-40-23-9-7-18-34(40)35-19-8-10-24-41(35)55/h1-9,11-23,25-30,49H,10,24H2,(H,52,53,54).
What are the key properties of 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole?
9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole has a molecular weight of 750.93 g/mol, XLogP of 13.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 163879853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).