2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane

C55H41N3O2 — CID 168744159

IUPAC2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane
SMILESC1=c2oc3ccc4ccccc4c3c2=C(c2ccc3c(c2)oc2c(C4NC(c5ccc(-c6ccccc6)cc5)NC(c5cccc(-c6ccccc6)c5)N4)cccc23)CC1
InChIInChI=1S/C55H41N3O2/c1-3-12-34(13-4-1)36-24-26-38(27-25-36)53-56-54(41-18-9-17-39(32-41)35-14-5-2-6-15-35)58-55(57-53)46-22-10-21-45-44-30-28-40(33-49(44)60-52(45)46)43-20-11-23-47-51(43)50-42-19-8-7-16-37(42)29-31-48(50)59-47/h1-10,12-19,21-33,53-58H,11,20H2
InChIKeyDPVBIOILJDTGES-UHFFFAOYSA-N
MW775.95 g/mol
LogP11.77
Rot. Bonds6

About 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane

2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane (PubChem CID 168744159) has the molecular formula C55H41N3O2 and a molecular weight of 775.95 g/mol. Its IUPAC name is 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane.

Molecular Properties

Compound Name2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane
PubChem CID168744159
Molecular FormulaC55H41N3O2
Molecular Weight775.95 g/mol
Exact Mass775.32
IUPAC Name2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane
SMILESC1=c2oc3ccc4ccccc4c3c2=C(c2ccc3c(c2)oc2c(C4NC(c5ccc(-c6ccccc6)cc5)NC(c5cccc(-c6ccccc6)c5)N4)cccc23)CC1
InChIInChI=1S/C55H41N3O2/c1-3-12-34(13-4-1)36-24-26-38(27-25-36)53-56-54(41-18-9-17-39(32-41)35-14-5-2-6-15-35)58-55(57-53)46-22-10-21-45-44-30-28-40(33-49(44)60-52(45)46)43-20-11-23-47-51(43)50-42-19-8-7-16-37(42)29-31-48(50)59-47/h1-10,12-19,21-33,53-58H,11,20H2
InChIKeyDPVBIOILJDTGES-UHFFFAOYSA-N
XLogP11.77
TPSA62.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.95
LogP ≤ 511.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541826
2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541695
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazinane
CID 146542416
2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
CID 171597125
18-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130190099
2-(8-dibenzofuran-2-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146541786
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazinane
CID 167029965
2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541785
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541694
2-dibenzofuran-4-yl-4-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-6-phenyl-1,3,5-triazinane
CID 146542449
2-(8-dibenzofuran-4-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146541811
4-dibenzofuran-4-yl-6-phenanthren-2-yl-2-(8-phenyldibenzofuran-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029951

Frequently Asked Questions

What is the IUPAC name of 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane?
The IUPAC name of 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane (CID 168744159) is 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane.
What is the SMILES notation for 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane?
The canonical SMILES for 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane is C1=c2oc3ccc4ccccc4c3c2=C(c2ccc3c(c2)oc2c(C4NC(c5ccc(-c6ccccc6)cc5)NC(c5cccc(-c6ccccc6)c5)N4)cccc23)CC1.
What is the InChIKey of 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane?
The InChIKey is DPVBIOILJDTGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3O2/c1-3-12-34(13-4-1)36-24-26-38(27-25-36)53-56-54(41-18-9-17-39(32-41)35-14-5-2-6-15-35)58-55(57-53)46-22-10-21-45-44-30-28-40(33-49(44)60-52(45)46)43-20-11-23-47-51(43)50-42-19-8-7-16-37(42)29-31-48(50)59-47/h1-10,12-19,21-33,53-58H,11,20H2.
What are the key properties of 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane?
2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane has a molecular weight of 775.95 g/mol, XLogP of 11.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(9,10-dihydronaphtho[2,1-b][1]benzofuran-11-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazinane is sourced from PubChem (CID 168744159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).