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

C49H34N4O2 — CID 167001428

IUPAC2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESCCCCc1cccc2c1oc1cccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3)c12
InChIInChI=1S/C49H34N4O2/c1-2-3-14-30-17-11-21-37-44-33(20-12-26-43(44)55-46(30)37)32-27-28-35-34-18-7-9-23-39(34)53(40(35)29-32)49-51-47(31-15-5-4-6-16-31)50-48(52-49)38-22-13-25-42-45(38)36-19-8-10-24-41(36)54-42/h4-13,15-29H,2-3,14H2,1H3
InChIKeyZQEHYUPESVCCED-UHFFFAOYSA-N
MW710.84 g/mol
LogP13.11
Rot. Bonds7

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

2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 167001428) has the molecular formula C49H34N4O2 and a molecular weight of 710.84 g/mol. Its IUPAC name is 2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID167001428
Molecular FormulaC49H34N4O2
Molecular Weight710.84 g/mol
Exact Mass710.27
IUPAC Name2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
SMILESCCCCc1cccc2c1oc1cccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3)c12
InChIInChI=1S/C49H34N4O2/c1-2-3-14-30-17-11-21-37-44-33(20-12-26-43(44)55-46(30)37)32-27-28-35-34-18-7-9-23-39(34)53(40(35)29-32)49-51-47(31-15-5-4-6-16-31)50-48(52-49)38-22-13-25-42-45(38)36-19-8-10-24-41(36)54-42/h4-13,15-29H,2-3,14H2,1H3
InChIKeyZQEHYUPESVCCED-UHFFFAOYSA-N
XLogP13.11
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.84
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-butyldibenzofuran-2-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 167001435
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731
9-[4-(6-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358189
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[4-(9-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357986
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
2-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167292938
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
9-[4-(9-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358250
9-[4-carbazol-9-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163941415

Frequently Asked Questions

What is the IUPAC name of 2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole (CID 167001428) is 2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is CCCCc1cccc2c1oc1cccc(-c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4c3)c12.
What is the InChIKey of 2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is ZQEHYUPESVCCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O2/c1-2-3-14-30-17-11-21-37-44-33(20-12-26-43(44)55-46(30)37)32-27-28-35-34-18-7-9-23-39(34)53(40(35)29-32)49-51-47(31-15-5-4-6-16-31)50-48(52-49)38-22-13-25-42-45(38)36-19-8-10-24-41(36)54-42/h4-13,15-29H,2-3,14H2,1H3.
What are the key properties of 2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole?
2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 710.84 g/mol, XLogP of 13.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butyldibenzofuran-1-yl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 167001428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).