9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole

C44H25N5OS — CID 156578051

IUPAC9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3ccc(-n5c6ccccc6c6cccnc65)cc34)n2)cc1
InChIInChI=1S/C44H25N5OS/c1-2-9-26(10-3-1)41-46-42(27-16-19-32-31-12-5-7-15-37(31)50-38(32)23-27)48-43(47-41)28-17-20-33-35-25-29(18-21-39(35)51-40(33)24-28)49-36-14-6-4-11-30(36)34-13-8-22-45-44(34)49/h1-25H
InChIKeyILMSZNRMUZPNGK-UHFFFAOYSA-N
MW671.79 g/mol
LogP11.63
Rot. Bonds4

About 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole

9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole (PubChem CID 156578051) has the molecular formula C44H25N5OS and a molecular weight of 671.79 g/mol. Its IUPAC name is 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
PubChem CID156578051
Molecular FormulaC44H25N5OS
Molecular Weight671.79 g/mol
Exact Mass671.18
IUPAC Name9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3ccc(-n5c6ccccc6c6cccnc65)cc34)n2)cc1
InChIInChI=1S/C44H25N5OS/c1-2-9-26(10-3-1)41-46-42(27-16-19-32-31-12-5-7-15-37(31)50-38(32)23-27)48-43(47-41)28-17-20-33-35-25-29(18-21-39(35)51-40(33)24-28)49-36-14-6-4-11-30(36)34-13-8-22-45-44(34)49/h1-25H
InChIKeyILMSZNRMUZPNGK-UHFFFAOYSA-N
XLogP11.63
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.79
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010720
9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577807
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276097
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011633
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
9-[17-(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-6-yl]carbazole
CID 146664265
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165082275
9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176831517
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]pyrido[2,3-b]indole
CID 156578035
3-dibenzofuran-2-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-dibenzofuran-2-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 160542300
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276091

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole (CID 156578051) is 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3ccc(-n5c6ccccc6c6cccnc65)cc34)n2)cc1.
What is the InChIKey of 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole?
The InChIKey is ILMSZNRMUZPNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5OS/c1-2-9-26(10-3-1)41-46-42(27-16-19-32-31-12-5-7-15-37(31)50-38(32)23-27)48-43(47-41)28-17-20-33-35-25-29(18-21-39(35)51-40(33)24-28)49-36-14-6-4-11-30(36)34-13-8-22-45-44(34)49/h1-25H.
What are the key properties of 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole?
9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole has a molecular weight of 671.79 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 156578051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).