9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole

C44H27N5S — CID 156577666

IUPAC9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)c2)cc1
InChIInChI=1S/C44H27N5S/c1-3-12-28(13-4-1)30-16-9-17-31(26-30)42-46-41(29-14-5-2-6-15-29)47-43(48-42)37-20-10-19-35-34-24-23-32(27-39(34)50-40(35)37)49-38-22-8-7-18-33(38)36-21-11-25-45-44(36)49/h1-27H
InChIKeyMJNVJPRBAPCZGN-UHFFFAOYSA-N
MW657.80 g/mol
LogP11.40
Rot. Bonds5

About 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole

9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole (PubChem CID 156577666) has the molecular formula C44H27N5S and a molecular weight of 657.80 g/mol. Its IUPAC name is 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
PubChem CID156577666
Molecular FormulaC44H27N5S
Molecular Weight657.80 g/mol
Exact Mass657.20
IUPAC Name9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)c2)cc1
InChIInChI=1S/C44H27N5S/c1-3-12-28(13-4-1)30-16-9-17-31(26-30)42-46-41(29-14-5-2-6-15-29)47-43(48-42)37-20-10-19-35-34-24-23-32(27-39(34)50-40(35)37)49-38-22-8-7-18-33(38)36-21-11-25-45-44(36)49/h1-27H
InChIKeyMJNVJPRBAPCZGN-UHFFFAOYSA-N
XLogP11.40
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.80
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 169059405
9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole
CID 156577869
9-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]pyrido[2,3-b]indole
CID 156578047
9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 174170327
9-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577740
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(6-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrido[2,3-b]indole
CID 70847801
2-dibenzothiophen-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzothiophen-4-yl-9-[3-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164957839
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
CID 169010620
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
6-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[2,3-b]indole
CID 70847781
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole
CID 163686605
9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole
CID 156577689

Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole (CID 156577666) is 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cc(-n6c7ccccc7c7cccnc76)ccc45)n3)c2)cc1.
What is the InChIKey of 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole?
The InChIKey is MJNVJPRBAPCZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5S/c1-3-12-28(13-4-1)30-16-9-17-31(26-30)42-46-41(29-14-5-2-6-15-29)47-43(48-42)37-20-10-19-35-34-24-23-32(27-39(34)50-40(35)37)49-38-22-8-7-18-33(38)36-21-11-25-45-44(36)49/h1-27H.
What are the key properties of 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole?
9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole has a molecular weight of 657.80 g/mol, XLogP of 11.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 156577666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).