2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine

C38H27N3O — CID 167032799

IUPAC2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
SMILESCC1C=CC=CC1c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc5oc6ccccc6c5cc34)n2)c1
InChIInChI=1S/C38H27N3O/c1-24-11-5-6-17-29(24)26-14-9-16-28(21-26)37-39-36(25-12-3-2-4-13-25)40-38(41-37)31-19-10-15-27-22-35-33(23-32(27)31)30-18-7-8-20-34(30)42-35/h2-24,29H,1H3
InChIKeyXNLNKXVAYUWKCM-UHFFFAOYSA-N
MW541.65 g/mol
LogP9.77
Rot. Bonds4

About 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine

2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine (PubChem CID 167032799) has the molecular formula C38H27N3O and a molecular weight of 541.65 g/mol. Its IUPAC name is 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
PubChem CID167032799
Molecular FormulaC38H27N3O
Molecular Weight541.65 g/mol
Exact Mass541.22
IUPAC Name2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
SMILESCC1C=CC=CC1c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc5oc6ccccc6c5cc34)n2)c1
InChIInChI=1S/C38H27N3O/c1-24-11-5-6-17-29(24)26-14-9-16-28(21-26)37-39-36(25-12-3-2-4-13-25)40-38(41-37)31-19-10-15-27-22-35-33(23-32(27)31)30-18-7-8-20-34(30)42-35/h2-24,29H,1H3
InChIKeyXNLNKXVAYUWKCM-UHFFFAOYSA-N
XLogP9.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-(4-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazine
CID 177112850
2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-17-yl)-4,6-diphenyl-1,3,5-triazine
CID 169053287
2-naphthalen-2-yl-4-(4-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 177119688
2-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167032790
2-dibenzofuran-1-yl-4-naphtho[7,6-b][1]benzofuran-7-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170017176
2-dibenzofuran-3-yl-4-[4-[6-(6-methylcyclohexa-2,4-dien-1-yl)dibenzothiophen-4-yl]naphthalen-1-yl]-6-naphthalen-1-yl-1,3,5-triazine
CID 166816832
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
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
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 168731861
2-dibenzofuran-4-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723720
2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline
CID 155473823
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine (CID 167032799) is 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine is CC1C=CC=CC1c1cccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc5oc6ccccc6c5cc34)n2)c1.
What is the InChIKey of 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine?
The InChIKey is XNLNKXVAYUWKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3O/c1-24-11-5-6-17-29(24)26-14-9-16-28(21-26)37-39-36(25-12-3-2-4-13-25)40-38(41-37)31-19-10-15-27-22-35-33(23-32(27)31)30-18-7-8-20-34(30)42-35/h2-24,29H,1H3.
What are the key properties of 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine?
2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine has a molecular weight of 541.65 g/mol, XLogP of 9.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-4-naphtho[6,7-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167032799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).