N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine

C57H40N4O2 — CID 171597004

IUPACN-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine
SMILESC1=C(c2ccccc2-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c2)CCCC1
InChIInChI=1S/C57H40N4O2/c1-4-16-37(17-5-1)44-24-10-11-25-45(44)40-22-14-23-41(34-40)61(42-30-32-47-46-26-12-13-28-50(46)62-52(47)35-42)43-31-33-48-53(36-43)63-51-29-15-27-49(54(48)51)57-59-55(38-18-6-2-7-19-38)58-56(60-57)39-20-8-3-9-21-39/h2-3,6-16,18-36H,1,4-5,17H2
InChIKeyWMMBMBCZXSZCEN-UHFFFAOYSA-N
MW812.97 g/mol
LogP15.77
Rot. Bonds8

About N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine

N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine (PubChem CID 171597004) has the molecular formula C57H40N4O2 and a molecular weight of 812.97 g/mol. Its IUPAC name is N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine
PubChem CID171597004
Molecular FormulaC57H40N4O2
Molecular Weight812.97 g/mol
Exact Mass812.32
IUPAC NameN-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine
SMILESC1=C(c2ccccc2-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c2)CCCC1
InChIInChI=1S/C57H40N4O2/c1-4-16-37(17-5-1)44-24-10-11-25-45(44)40-22-14-23-41(34-40)61(42-30-32-47-46-26-12-13-28-50(46)62-52(47)35-42)43-31-33-48-53(36-43)63-51-29-15-27-49(54(48)51)57-59-55(38-18-6-2-7-19-38)58-56(60-57)39-20-8-3-9-21-39/h2-3,6-16,18-36H,1,4-5,17H2
InChIKeyWMMBMBCZXSZCEN-UHFFFAOYSA-N
XLogP15.77
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.97
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine 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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597177
N-dibenzofuran-3-yl-9-(4,6-diphenylpyrimidin-2-yl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171597034
N,N-diphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 171597046
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
N-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 169280951
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095870
9-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171597091
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine (CID 171597004) is N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine is C1=C(c2ccccc2-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)c2)CCCC1.
What is the InChIKey of N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine?
The InChIKey is WMMBMBCZXSZCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4O2/c1-4-16-37(17-5-1)44-24-10-11-25-45(44)40-22-14-23-41(34-40)61(42-30-32-47-46-26-12-13-28-50(46)62-52(47)35-42)43-31-33-48-53(36-43)63-51-29-15-27-49(54(48)51)57-59-55(38-18-6-2-7-19-38)58-56(60-57)39-20-8-3-9-21-39/h2-3,6-16,18-36H,1,4-5,17H2.
What are the key properties of N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine?
N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine has a molecular weight of 812.97 g/mol, XLogP of 15.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclohexen-1-yl)phenyl]phenyl]-N-dibenzofuran-3-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 171597004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).