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

C45H26N4OS — CID 176831517

IUPAC9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H26N4OS/c1-5-16-37-31(12-1)32-13-2-6-17-38(32)49(37)30-11-9-10-27(24-30)43-46-44(28-20-22-34-33-14-3-7-18-39(33)50-40(34)25-28)48-45(47-43)29-21-23-36-35-15-4-8-19-41(35)51-42(36)26-29/h1-26H
InChIKeyNAGWSDZMHCGJJM-UHFFFAOYSA-N
MW670.80 g/mol
LogP12.24
Rot. Bonds4

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

9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 176831517) has the molecular formula C45H26N4OS and a molecular weight of 670.80 g/mol. Its IUPAC name is 9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID176831517
Molecular FormulaC45H26N4OS
Molecular Weight670.80 g/mol
Exact Mass670.18
IUPAC Name9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H26N4OS/c1-5-16-37-31(12-1)32-13-2-6-17-38(32)49(37)30-11-9-10-27(24-30)43-46-44(28-20-22-34-33-14-3-7-18-39(33)50-40(34)25-28)48-45(47-43)29-21-23-36-35-15-4-8-19-41(35)51-42(36)26-29/h1-26H
InChIKeyNAGWSDZMHCGJJM-UHFFFAOYSA-N
XLogP12.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
9-[3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780092
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-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole
CID 126632090
9-[3-[4-dibenzofuran-3-yl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 149015024
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 159253152
2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163669765
9-[3-[4-dibenzothiophen-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747138
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010720
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011633
9-[4,6-bis(2-dibenzofuran-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2-dibenzofuran-3-ylcarbazole;2-dibenzofuran-3-yl-9-[3-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158600573
9-[3-[4-dibenzofuran-3-yl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159113305

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 176831517) is 9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole is c1cc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is NAGWSDZMHCGJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS/c1-5-16-37-31(12-1)32-13-2-6-17-38(32)49(37)30-11-9-10-27(24-30)43-46-44(28-20-22-34-33-14-3-7-18-39(33)50-40(34)25-28)48-45(47-43)29-21-23-36-35-15-4-8-19-41(35)51-42(36)26-29/h1-26H.
What are the key properties of 9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 670.80 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 176831517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).