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

C51H34N4OS — CID 166962411

IUPAC9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc3c2sc2cccc(-c4ccc5c(c4)oc4cccc(C6=NC(c7ccccc7)NC(c7ccccc7)=N6)c45)c23)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)39-22-12-26-43-46(39)37-29-28-33(30-44(37)56-43)34-20-13-27-45-47(34)38-21-11-25-42(48(38)57-45)55-40-23-9-7-18-35(40)36-19-8-10-24-41(36)55/h1-7,9-18,20-30,49H,8,19H2,(H,52,53,54)
InChIKeyLBPMCUGQXBYNLP-UHFFFAOYSA-N
MW750.93 g/mol
LogP13.02
Rot. Bonds5

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

9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole (PubChem CID 166962411) has the molecular formula C51H34N4OS and a molecular weight of 750.93 g/mol. Its IUPAC name is 9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
PubChem CID166962411
Molecular FormulaC51H34N4OS
Molecular Weight750.93 g/mol
Exact Mass750.25
IUPAC Name9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc3c2sc2cccc(-c4ccc5c(c4)oc4cccc(C6=NC(c7ccccc7)NC(c7ccccc7)=N6)c45)c23)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)39-22-12-26-43-46(39)37-29-28-33(30-44(37)56-43)34-20-13-27-45-47(34)38-21-11-25-42(48(38)57-45)55-40-23-9-7-18-35(40)36-19-8-10-24-41(36)55/h1-7,9-18,20-30,49H,8,19H2,(H,52,53,54)
InChIKeyLBPMCUGQXBYNLP-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-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole with MolForge

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Related Compounds

9-[6-[6-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzofuran-3-yl]-3,4-dihydrocarbazole
CID 166962458
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
CID 166962970
9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole
CID 170278418
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole
CID 146665133
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137
9-[8-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]-3,4,4a,9a-tetrahydrocarbazole
CID 166962046
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-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 166961266
4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029732
9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 163472498

Frequently Asked Questions

What is the IUPAC name of 9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole (CID 166962411) is 9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole is C1=Cc2c(c3ccccc3n2-c2cccc3c2sc2cccc(-c4ccc5c(c4)oc4cccc(C6=NC(c7ccccc7)NC(c7ccccc7)=N6)c45)c23)CC1.
What is the InChIKey of 9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole?
The InChIKey is LBPMCUGQXBYNLP-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)39-22-12-26-43-46(39)37-29-28-33(30-44(37)56-43)34-20-13-27-45-47(34)38-21-11-25-42(48(38)57-45)55-40-23-9-7-18-35(40)36-19-8-10-24-41(36)55/h1-7,9-18,20-30,49H,8,19H2,(H,52,53,54).
What are the key properties of 9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole?
9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-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-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole is sourced from PubChem (CID 166962411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).