N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline

C102H98N12O4 — CID 42645863

IUPACN,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline
SMILESCN(C)c1ccc(C2CC(c3ccc(OCc4cc(COc5ccc(C6=NN(c7ccccc7)C(c7ccc(N(C)C)cc7)C6)cc5)c(COc5ccc(C6=NN(c7ccccc7)C(c7ccc(N(C)C)cc7)C6)cc5)cc4COc4ccc(C5=NN(c6ccccc6)C(c6ccc(N(C)C)cc6)C5)cc4)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C102H98N12O4/c1-107(2)83-45-29-75(30-46-83)99-63-95(103-111(99)87-21-13-9-14-22-87)71-37-53-91(54-38-71)115-67-79-61-81(69-117-93-57-41-73(42-58-93)97-65-101(77-33-49-85(50-34-77)109(5)6)113(105-97)89-25-17-11-18-26-89)82(70-118-94-59-43-74(44-60-94)98-66-102(78-35-51-86(52-36-78)110(7)8)114(106-98)90-27-19-12-20-28-90)62-80(79)68-116-92-55-39-72(40-56-92)96-64-100(76-31-47-84(48-32-76)108(3)4)112(104-96)88-23-15-10-16-24-88/h9-62,99-102H,63-70H2,1-8H3
InChIKeyUSRYTXOPVGIZEM-UHFFFAOYSA-N
MW1555.99 g/mol
LogP21.69
Rot. Bonds28

About N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline

N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline (PubChem CID 42645863) has the molecular formula C102H98N12O4 and a molecular weight of 1555.99 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline
PubChem CID42645863
Molecular FormulaC102H98N12O4
Molecular Weight1555.99 g/mol
Exact Mass1554.78
IUPAC NameN,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline
SMILESCN(C)c1ccc(C2CC(c3ccc(OCc4cc(COc5ccc(C6=NN(c7ccccc7)C(c7ccc(N(C)C)cc7)C6)cc5)c(COc5ccc(C6=NN(c7ccccc7)C(c7ccc(N(C)C)cc7)C6)cc5)cc4COc4ccc(C5=NN(c6ccccc6)C(c6ccc(N(C)C)cc6)C5)cc4)cc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C102H98N12O4/c1-107(2)83-45-29-75(30-46-83)99-63-95(103-111(99)87-21-13-9-14-22-87)71-37-53-91(54-38-71)115-67-79-61-81(69-117-93-57-41-73(42-58-93)97-65-101(77-33-49-85(50-34-77)109(5)6)113(105-97)89-25-17-11-18-26-89)82(70-118-94-59-43-74(44-60-94)98-66-102(78-35-51-86(52-36-78)110(7)8)114(106-98)90-27-19-12-20-28-90)62-80(79)68-116-92-55-39-72(40-56-92)96-64-100(76-31-47-84(48-32-76)108(3)4)112(104-96)88-23-15-10-16-24-88/h9-62,99-102H,63-70H2,1-8H3
InChIKeyUSRYTXOPVGIZEM-UHFFFAOYSA-N
XLogP21.69
TPSA112.28 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001555.99
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline with MolForge

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Related Compounds

4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
CID 50886955
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 11405575
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
N,N-dimethyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 7194736
[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 7065243
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 3743564
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
3-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyphenyl]-2-phenyl-5-(4-phenylphenyl)-3,4-dihydropyrazole
CID 166809871

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline (CID 42645863) is N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline is CN(C)c1ccc(C2CC(c3ccc(OCc4cc(COc5ccc(C6=NN(c7ccccc7)C(c7ccc(N(C)C)cc7)C6)cc5)c(COc5ccc(C6=NN(c7ccccc7)C(c7ccc(N(C)C)cc7)C6)cc5)cc4COc4ccc(C5=NN(c6ccccc6)C(c6ccc(N(C)C)cc6)C5)cc4)cc3)=NN2c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline?
The InChIKey is USRYTXOPVGIZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H98N12O4/c1-107(2)83-45-29-75(30-46-83)99-63-95(103-111(99)87-21-13-9-14-22-87)71-37-53-91(54-38-71)115-67-79-61-81(69-117-93-57-41-73(42-58-93)97-65-101(77-33-49-85(50-34-77)109(5)6)113(105-97)89-25-17-11-18-26-89)82(70-118-94-59-43-74(44-60-94)98-66-102(78-35-51-86(52-36-78)110(7)8)114(106-98)90-27-19-12-20-28-90)62-80(79)68-116-92-55-39-72(40-56-92)96-64-100(76-31-47-84(48-32-76)108(3)4)112(104-96)88-23-15-10-16-24-88/h9-62,99-102H,63-70H2,1-8H3.
What are the key properties of N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline?
N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline has a molecular weight of 1555.99 g/mol, XLogP of 21.69, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline is sourced from PubChem (CID 42645863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).