2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole

C51H32N4O2 — CID 170080428

IUPAC2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole
SMILESC1=CCCC(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c5ccccc5n(-c5cccc6oc7cccc(-c8ccccc8)c7c56)c4c3)n2)=C1
InChIInChI=1S/C51H32N4O2/c1-3-13-31(14-4-1)35-19-11-23-44-47(35)48-41(21-12-24-45(48)57-44)55-40-20-9-7-17-36(40)37-27-25-33(29-42(37)55)50-52-49(32-15-5-2-6-16-32)53-51(54-50)34-26-28-39-38-18-8-10-22-43(38)56-46(39)30-34/h1-5,7-15,17-30H,6,16H2
InChIKeyCJPRPAXFUDTTOC-UHFFFAOYSA-N
MW732.84 g/mol
LogP13.50
Rot. Bonds5

About 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole

2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole (PubChem CID 170080428) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole.

Molecular Properties

Compound Name2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole
PubChem CID170080428
Molecular FormulaC51H32N4O2
Molecular Weight732.84 g/mol
Exact Mass732.25
IUPAC Name2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole
SMILESC1=CCCC(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c5ccccc5n(-c5cccc6oc7cccc(-c8ccccc8)c7c56)c4c3)n2)=C1
InChIInChI=1S/C51H32N4O2/c1-3-13-31(14-4-1)35-19-11-23-44-47(35)48-41(21-12-24-45(48)57-44)55-40-20-9-7-17-36(40)37-27-25-33(29-42(37)55)50-52-49(32-15-5-2-6-16-32)53-51(54-50)34-26-28-39-38-18-8-10-22-43(38)56-46(39)30-34/h1-5,7-15,17-30H,6,16H2
InChIKeyCJPRPAXFUDTTOC-UHFFFAOYSA-N
XLogP13.50
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.84
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole with MolForge

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Related Compounds

3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole
CID 177129529
2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080487
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-1-yl]carbazole
CID 163981624
2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 155203381
9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607555
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
CID 169010930
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
2-dibenzofuran-1-yl-9-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 156521803
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 166962496
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010568
9-[4-(9-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358250
9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 176607657

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole?
The IUPAC name of 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole (CID 170080428) is 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole.
What is the SMILES notation for 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole?
The canonical SMILES for 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole is C1=CCCC(c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c5ccccc5n(-c5cccc6oc7cccc(-c8ccccc8)c7c56)c4c3)n2)=C1.
What is the InChIKey of 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole?
The InChIKey is CJPRPAXFUDTTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-3-13-31(14-4-1)35-19-11-23-44-47(35)48-41(21-12-24-45(48)57-44)55-40-20-9-7-17-36(40)37-27-25-33(29-42(37)55)50-52-49(32-15-5-2-6-16-32)53-51(54-50)34-26-28-39-38-18-8-10-22-43(38)56-46(39)30-34/h1-5,7-15,17-30H,6,16H2.
What are the key properties of 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole?
2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole has a molecular weight of 732.84 g/mol, XLogP of 13.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole is sourced from PubChem (CID 170080428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).