9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole

C45H28N4S — CID 134223573

IUPAC9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc34)n2)cc1
InChIInChI=1S/C45H28N4S/c1-3-11-30(12-4-1)43-46-44(31-13-5-2-6-14-31)48-45(47-43)33-22-26-38-37-25-21-32(27-41(37)50-42(38)28-33)29-19-23-34(24-20-29)49-39-17-9-7-15-35(39)36-16-8-10-18-40(36)49/h1-28H
InChIKeyRHYNMQJVNPBZJQ-UHFFFAOYSA-N
MW656.81 g/mol
LogP12.00
Rot. Bonds5

About 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole

9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole (PubChem CID 134223573) has the molecular formula C45H28N4S and a molecular weight of 656.81 g/mol. Its IUPAC name is 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole
PubChem CID134223573
Molecular FormulaC45H28N4S
Molecular Weight656.81 g/mol
Exact Mass656.20
IUPAC Name9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc34)n2)cc1
InChIInChI=1S/C45H28N4S/c1-3-11-30(12-4-1)43-46-44(31-13-5-2-6-14-31)48-45(47-43)33-22-26-38-37-25-21-32(27-41(37)50-42(38)28-33)29-19-23-34(24-20-29)49-39-17-9-7-15-35(39)36-16-8-10-18-40(36)49/h1-28H
InChIKeyRHYNMQJVNPBZJQ-UHFFFAOYSA-N
XLogP12.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole (CID 134223573) is 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc34)n2)cc1.
What is the InChIKey of 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole?
The InChIKey is RHYNMQJVNPBZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S/c1-3-11-30(12-4-1)43-46-44(31-13-5-2-6-14-31)48-45(47-43)33-22-26-38-37-25-21-32(27-41(37)50-42(38)28-33)29-19-23-34(24-20-29)49-39-17-9-7-15-35(39)36-16-8-10-18-40(36)49/h1-28H.
What are the key properties of 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole?
9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole has a molecular weight of 656.81 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]carbazole is sourced from PubChem (CID 134223573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).