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

C45H30N4OS — CID 163636411

IUPAC9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole
SMILESc1ccc(C2N=C(c3ccc4c5ccccc5n(-c5cccc6c5oc5ccccc56)c4c3)NC(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C45H30N4OS/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)35-19-10-18-34-32-16-6-9-23-40(32)51-42(34)35)28-24-25-30-29-14-4-7-20-36(29)49(38(30)26-28)37-21-11-17-33-31-15-5-8-22-39(31)50-41(33)37/h1-26,43,45,47H,(H,46,48)
InChIKeyIALVFCLKDKLDQF-UHFFFAOYSA-N
MW674.83 g/mol
LogP11.39
Rot. Bonds4

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

9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole (PubChem CID 163636411) has the molecular formula C45H30N4OS and a molecular weight of 674.83 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole
PubChem CID163636411
Molecular FormulaC45H30N4OS
Molecular Weight674.83 g/mol
Exact Mass674.21
IUPAC Name9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole
SMILESc1ccc(C2N=C(c3ccc4c5ccccc5n(-c5cccc6c5oc5ccccc56)c4c3)NC(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C45H30N4OS/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)35-19-10-18-34-32-16-6-9-23-40(32)51-42(34)35)28-24-25-30-29-14-4-7-20-36(29)49(38(30)26-28)37-21-11-17-33-31-15-5-8-22-39(31)50-41(33)37/h1-26,43,45,47H,(H,46,48)
InChIKeyIALVFCLKDKLDQF-UHFFFAOYSA-N
XLogP11.39
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.83
LogP ≤ 511.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole with MolForge

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Related Compounds

12-[3-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166961184
2-dibenzofuran-4-yl-6-(7-dibenzothiophen-4-yldibenzofuran-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146541771
2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167044791
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole
CID 166962389
2-dibenzofuran-4-yl-6-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 149480097
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 166961997
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091
9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole
CID 166962280
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
9-[6-[9-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 166962038
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
6-(3,5-diphenylphenyl)-2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167132650

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole?
The IUPAC name of 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole (CID 163636411) is 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole is c1ccc(C2N=C(c3ccc4c5ccccc5n(-c5cccc6c5oc5ccccc56)c4c3)NC(c3cccc4c3sc3ccccc34)N2)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole?
The InChIKey is IALVFCLKDKLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4OS/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)35-19-10-18-34-32-16-6-9-23-40(32)51-42(34)35)28-24-25-30-29-14-4-7-20-36(29)49(38(30)26-28)37-21-11-17-33-31-15-5-8-22-39(31)50-41(33)37/h1-26,43,45,47H,(H,46,48).
What are the key properties of 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole?
9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole has a molecular weight of 674.83 g/mol, XLogP of 11.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-2-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)carbazole is sourced from PubChem (CID 163636411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).