2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

C44H29N3O2 — CID 170133231

IUPAC2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESCC1CC=CC=C1c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3c(-c4cccc5oc6ccccc6c45)cccc23)n1
InChIInChI=1S/C44H29N3O2/c1-26-11-2-3-12-28(26)43-45-42(27-23-24-33-32-13-4-6-20-37(32)49-40(33)25-27)46-44(47-43)35-19-9-15-29-30(16-8-17-31(29)35)34-18-10-22-39-41(34)36-14-5-7-21-38(36)48-39/h2-10,12-26H,11H2,1H3
InChIKeyXNVVSCVTGHLZFF-UHFFFAOYSA-N
MW631.74 g/mol
LogP11.80
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (PubChem CID 170133231) has the molecular formula C44H29N3O2 and a molecular weight of 631.74 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
PubChem CID170133231
Molecular FormulaC44H29N3O2
Molecular Weight631.74 g/mol
Exact Mass631.23
IUPAC Name2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
SMILESCC1CC=CC=C1c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3c(-c4cccc5oc6ccccc6c45)cccc23)n1
InChIInChI=1S/C44H29N3O2/c1-26-11-2-3-12-28(26)43-45-42(27-23-24-33-32-13-4-6-20-37(32)49-40(33)25-27)46-44(47-43)35-19-9-15-29-30(16-8-17-31(29)35)34-18-10-22-39-41(34)36-14-5-7-21-38(36)48-39/h2-10,12-26H,11H2,1H3
InChIKeyXNVVSCVTGHLZFF-UHFFFAOYSA-N
XLogP11.80
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 170127951
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-[7-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 163599254
2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742927
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163961134
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743109
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine (CID 170133231) is 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is CC1CC=CC=C1c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3c(-c4cccc5oc6ccccc6c45)cccc23)n1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
The InChIKey is XNVVSCVTGHLZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O2/c1-26-11-2-3-12-28(26)43-45-42(27-23-24-33-32-13-4-6-20-37(32)49-40(33)25-27)46-44(47-43)35-19-9-15-29-30(16-8-17-31(29)35)34-18-10-22-39-41(34)36-14-5-7-21-38(36)48-39/h2-10,12-26H,11H2,1H3.
What are the key properties of 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine has a molecular weight of 631.74 g/mol, XLogP of 11.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170133231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).