(Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine

C69H53N5 — CID 129228002

IUPAC(Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine
SMILESN/C(=C\C(c1ccc(-c2ccc3c(-c4cccc5cc(-c6ccc(C7N=C(c8ccccc8)NC(c8ccc(-c9ccccc9)cc8)=N7)cc6)ccc45)cccc3c2)cc1)[C@@H](N)c1ccccc1)c1ccccc1
InChIInChI=1S/C69H53N5/c70-65(51-17-7-2-8-18-51)45-64(66(71)52-19-9-3-10-20-52)50-33-27-48(28-34-50)56-39-41-60-58(43-56)23-13-25-62(60)63-26-14-24-59-44-57(40-42-61(59)63)49-31-37-55(38-32-49)69-73-67(53-21-11-4-12-22-53)72-68(74-69)54-35-29-47(30-36-54)46-15-5-1-6-16-46/h1-45,64,66,69H,70-71H2,(H,72,73,74)/b65-45-/t64?,66-,69?/m0/s1
InChIKeyZDGUDVWZPTYQHF-XUODMMEVSA-N
MW952.22 g/mol
LogP15.94
Rot. Bonds12

About (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine

(Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine (PubChem CID 129228002) has the molecular formula C69H53N5 and a molecular weight of 952.22 g/mol. Its IUPAC name is (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine
PubChem CID129228002
Molecular FormulaC69H53N5
Molecular Weight952.22 g/mol
Exact Mass951.43
IUPAC Name(Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine
SMILESN/C(=C\C(c1ccc(-c2ccc3c(-c4cccc5cc(-c6ccc(C7N=C(c8ccccc8)NC(c8ccc(-c9ccccc9)cc8)=N7)cc6)ccc45)cccc3c2)cc1)[C@@H](N)c1ccccc1)c1ccccc1
InChIInChI=1S/C69H53N5/c70-65(51-17-7-2-8-18-51)45-64(66(71)52-19-9-3-10-20-52)50-33-27-48(28-34-50)56-39-41-60-58(43-56)23-13-25-62(60)63-26-14-24-59-44-57(40-42-61(59)63)49-31-37-55(38-32-49)69-73-67(53-21-11-4-12-22-53)72-68(74-69)54-35-29-47(30-36-54)46-15-5-1-6-16-46/h1-45,64,66,69H,70-71H2,(H,72,73,74)/b65-45-/t64?,66-,69?/m0/s1
InChIKeyZDGUDVWZPTYQHF-XUODMMEVSA-N
XLogP15.94
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.22
LogP ≤ 515.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine 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-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]benzonitrile
CID 155442951
2-[7-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 155443108
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
6-[4-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-1-methylisoquinoline
CID 130181078
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-(4-phenanthren-2-ylphenyl)-2-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 176616944
2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
(1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine
CID 139314463

Frequently Asked Questions

What is the IUPAC name of (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine?
The IUPAC name of (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine (CID 129228002) is (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine.
What is the SMILES notation for (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine?
The canonical SMILES for (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine is N/C(=C\C(c1ccc(-c2ccc3c(-c4cccc5cc(-c6ccc(C7N=C(c8ccccc8)NC(c8ccc(-c9ccccc9)cc8)=N7)cc6)ccc45)cccc3c2)cc1)[C@@H](N)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine?
The InChIKey is ZDGUDVWZPTYQHF-XUODMMEVSA-N. The full InChI is InChI=1S/C69H53N5/c70-65(51-17-7-2-8-18-51)45-64(66(71)52-19-9-3-10-20-52)50-33-27-48(28-34-50)56-39-41-60-58(43-56)23-13-25-62(60)63-26-14-24-59-44-57(40-42-61(59)63)49-31-37-55(38-32-49)69-73-67(53-21-11-4-12-22-53)72-68(74-69)54-35-29-47(30-36-54)46-15-5-1-6-16-46/h1-45,64,66,69H,70-71H2,(H,72,73,74)/b65-45-/t64?,66-,69?/m0/s1.
What are the key properties of (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine?
(Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine has a molecular weight of 952.22 g/mol, XLogP of 15.94, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-1,4-diphenyl-3-[4-[5-[6-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]but-1-ene-1,4-diamine is sourced from PubChem (CID 129228002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).