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

C39H26N4O — CID 174276647

IUPAC9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)N=C(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C39H26N4O/c1-3-12-25(13-4-1)28-18-11-21-34-36(28)31-23-22-27(24-35(31)44-34)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-32-19-9-7-16-29(32)30-17-8-10-20-33(30)43/h1-24,38H,(H,40,41,42)
InChIKeyIHCGDQHLKMEGMG-UHFFFAOYSA-N
MW566.66 g/mol
LogP9.31
Rot. Bonds3

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

9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole (PubChem CID 174276647) has the molecular formula C39H26N4O and a molecular weight of 566.66 g/mol. Its IUPAC name is 9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
PubChem CID174276647
Molecular FormulaC39H26N4O
Molecular Weight566.66 g/mol
Exact Mass566.21
IUPAC Name9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)N=C(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C39H26N4O/c1-3-12-25(13-4-1)28-18-11-21-34-36(28)31-23-22-27(24-35(31)44-34)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-32-19-9-7-16-29(32)30-17-8-10-20-33(30)43/h1-24,38H,(H,40,41,42)
InChIKeyIHCGDQHLKMEGMG-UHFFFAOYSA-N
XLogP9.31
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
5-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166915553
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961353
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155474982
9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961286
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915507
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 163570701
2-dibenzofuran-1-yl-9-[2-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 170130380
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185

Frequently Asked Questions

What is the IUPAC name of 9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole (CID 174276647) is 9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole is c1ccc(C2=NC(c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)N=C(n3c4ccccc4c4ccccc43)N2)cc1.
What is the InChIKey of 9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole?
The InChIKey is IHCGDQHLKMEGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O/c1-3-12-25(13-4-1)28-18-11-21-34-36(28)31-23-22-27(24-35(31)44-34)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-32-19-9-7-16-29(32)30-17-8-10-20-33(30)43/h1-24,38H,(H,40,41,42).
What are the key properties of 9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole?
9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole has a molecular weight of 566.66 g/mol, XLogP of 9.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-phenyl-4-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 174276647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).