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

C45H28N4OS — CID 166952634

IUPAC9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3cccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c34)n2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C45H28N4OS/c1-2-13-27(14-3-1)43-46-44(48-45(47-43)34-21-10-18-31-30-17-6-9-25-38(30)50-41(31)34)33-20-12-26-39-40(33)32-19-11-24-37(42(32)51-39)49-35-22-7-4-15-28(35)29-16-5-8-23-36(29)49/h1-17,19-26,31H,18H2
InChIKeyDHQYCWVEGKQFPK-UHFFFAOYSA-N
MW672.81 g/mol
LogP11.52
Rot. Bonds4

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

9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole (PubChem CID 166952634) has the molecular formula C45H28N4OS and a molecular weight of 672.81 g/mol. Its IUPAC name is 9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
PubChem CID166952634
Molecular FormulaC45H28N4OS
Molecular Weight672.81 g/mol
Exact Mass672.20
IUPAC Name9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3cccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c34)n2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C45H28N4OS/c1-2-13-27(14-3-1)43-46-44(48-45(47-43)34-21-10-18-31-30-17-6-9-25-38(30)50-41(31)34)33-20-12-26-39-40(33)32-19-11-24-37(42(32)51-39)49-35-22-7-4-15-28(35)29-16-5-8-23-36(29)49/h1-17,19-26,31H,18H2
InChIKeyDHQYCWVEGKQFPK-UHFFFAOYSA-N
XLogP11.52
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.81
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011214
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011326
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]carbazole
CID 169011089
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169011339
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole
CID 169011347
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzothiophen-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156574802
9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
CID 176607658
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-1-yl]carbazole
CID 169011119

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole (CID 166952634) is 9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole is C1=CC(c2nc(-c3ccccc3)nc(-c3cccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c34)n2)=C2Oc3ccccc3C2C1.
What is the InChIKey of 9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole?
The InChIKey is DHQYCWVEGKQFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4OS/c1-2-13-27(14-3-1)43-46-44(48-45(47-43)34-21-10-18-31-30-17-6-9-25-38(30)50-41(31)34)33-20-12-26-39-40(33)32-19-11-24-37(42(32)51-39)49-35-22-7-4-15-28(35)29-16-5-8-23-36(29)49/h1-17,19-26,31H,18H2.
What are the key properties of 9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole?
9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole has a molecular weight of 672.81 g/mol, XLogP of 11.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-(1,9b-dihydrodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 166952634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).