2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

C52H35N3O2 — CID 163976927

IUPAC2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1C(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)=CC=CC1c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C52H35N3O2/c1-32-39(15-9-16-40(32)38-29-30-47-44(31-38)41-13-5-7-18-45(41)56-47)35-23-27-37(28-24-35)51-53-50(36-25-21-34(22-26-36)33-11-3-2-4-12-33)54-52(55-51)43-17-10-20-48-49(43)42-14-6-8-19-46(42)57-48/h2-32,40H,1H3
InChIKeySUYUGTXREOQASO-UHFFFAOYSA-N
MW733.87 g/mol
LogP13.71
Rot. Bonds6

About 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163976927) has the molecular formula C52H35N3O2 and a molecular weight of 733.87 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID163976927
Molecular FormulaC52H35N3O2
Molecular Weight733.87 g/mol
Exact Mass733.27
IUPAC Name2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1C(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)=CC=CC1c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C52H35N3O2/c1-32-39(15-9-16-40(32)38-29-30-47-44(31-38)41-13-5-7-18-45(41)56-47)35-23-27-37(28-24-35)51-53-50(36-25-21-34(22-26-36)33-11-3-2-4-12-33)54-52(55-51)43-17-10-20-48-49(43)42-14-6-8-19-46(42)57-48/h2-32,40H,1H3
InChIKeySUYUGTXREOQASO-UHFFFAOYSA-N
XLogP13.71
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.87
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 163976927) is 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is CC1C(c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)=CC=CC1c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is SUYUGTXREOQASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O2/c1-32-39(15-9-16-40(32)38-29-30-47-44(31-38)41-13-5-7-18-45(41)56-47)35-23-27-37(28-24-35)51-53-50(36-25-21-34(22-26-36)33-11-3-2-4-12-33)54-52(55-51)43-17-10-20-48-49(43)42-14-6-8-19-46(42)57-48/h2-32,40H,1H3.
What are the key properties of 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 733.87 g/mol, XLogP of 13.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163976927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).