(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one

C116H103N3O6 — CID 159912190

IUPAC(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one
SMILESCO/C(C)=C(\C(C)=O)c1c(C)c(C)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C)c1C.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H33NO2.C40H39NO2.C36H31NO2/c1-28(42)40(29(2)43-3)38-26-27-39(37-17-11-10-16-36(37)38)41(34-22-18-32(19-23-34)30-12-6-4-7-13-30)35-24-20-33(21-25-35)31-14-8-5-9-15-31;1-26-28(3)40(29(4)27(2)38(26)39(30(5)42)31(6)43-7)41(36-22-18-34(19-23-36)32-14-10-8-11-15-32)37-24-20-35(21-25-37)33-16-12-9-13-17-33;1-26(38)36(27(2)39-3)32-18-24-35(25-19-32)37(33-20-14-30(15-21-33)28-10-6-4-7-11-28)34-22-16-31(17-23-34)29-12-8-5-9-13-29/h4-27H,1-3H3;8-25H,1-7H3;4-25H,1-3H3/b40-29+;39-31+;36-27+
InChIKeyNXHXDJDLOQYVFK-FXWUPQEYSA-N
MW1635.11 g/mol
LogP30.76
Rot. Bonds24

About (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one

(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one (PubChem CID 159912190) has the molecular formula C116H103N3O6 and a molecular weight of 1635.11 g/mol. Its IUPAC name is (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one
PubChem CID159912190
Molecular FormulaC116H103N3O6
Molecular Weight1635.11 g/mol
Exact Mass1633.78
IUPAC Name(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one
SMILESCO/C(C)=C(\C(C)=O)c1c(C)c(C)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C)c1C.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H33NO2.C40H39NO2.C36H31NO2/c1-28(42)40(29(2)43-3)38-26-27-39(37-17-11-10-16-36(37)38)41(34-22-18-32(19-23-34)30-12-6-4-7-13-30)35-24-20-33(21-25-35)31-14-8-5-9-15-31;1-26-28(3)40(29(4)27(2)38(26)39(30(5)42)31(6)43-7)41(36-22-18-34(19-23-36)32-14-10-8-11-15-32)37-24-20-35(21-25-37)33-16-12-9-13-17-33;1-26(38)36(27(2)39-3)32-18-24-35(25-19-32)37(33-20-14-30(15-21-33)28-10-6-4-7-11-28)34-22-16-31(17-23-34)29-12-8-5-9-13-29/h4-27H,1-3H3;8-25H,1-7H3;4-25H,1-3H3/b40-29+;39-31+;36-27+
InChIKeyNXHXDJDLOQYVFK-FXWUPQEYSA-N
XLogP30.76
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001635.11
LogP ≤ 530.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one with MolForge

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Related Compounds

(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(4-phenylphenyl)anilino)pyren-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(N-(2-phenylphenyl)anilino)phenyl]pent-3-en-2-one
CID 160954089
(Z)-4-methoxy-3-[10-(N-(2-phenylphenyl)anilino)anthracen-9-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[5-(N-(2-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[6-(N-(2-phenylphenyl)anilino)naphthalen-2-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[7-(N-(2-phenylphenyl)anilino)naphthalen-2-yl]pent-3-en-2-one
CID 160624686
(Z)-3-[10-(N-(9,9-dimethylfluoren-2-yl)anilino)anthracen-9-yl]-4-methoxypent-3-en-2-one;(Z)-3-[12-(N-(9,9-dimethylfluoren-2-yl)anilino)chrysen-6-yl]-4-methoxypent-3-en-2-one;(Z)-3-[6-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-2-yl]-4-methoxypent-3-en-2-one;(Z)-3-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-2-yl]-4-methoxypent-3-en-2-one
CID 160713415
4-[4-[bis(4-methylnaphthalen-1-yl)amino]phenyl]benzoic acid
CID 139962476
(Z)-3-[6-(N-(9,9-dimethylfluoren-2-yl)anilino)pyren-1-yl]-4-methoxypent-3-en-2-one
CID 134598415
methyl 4-[3-[N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]-4-[4-(4-phenylphenyl)phenyl]anilino]carbazol-9-yl]benzoate
CID 126595688
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
tris(carbon dioxide);methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate;methyl 4-[3-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzoate;methyl 4-[3-[N-[9-(4-methylphenyl)carbazol-3-yl]-4-(4-phenylphenyl)anilino]carbazol-9-yl]benzoate
CID 159640490
ethyl 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202
1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 141305521
[4-[4-(N-[4-[4-(acetyloxymethyl)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]methyl acetate
CID 14669999

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one?
The IUPAC name of (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one (CID 159912190) is (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one?
The canonical SMILES for (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one is CO/C(C)=C(\C(C)=O)c1c(C)c(C)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C)c1C.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2ccccc12.CO/C(C)=C(\C(C)=O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one?
The InChIKey is NXHXDJDLOQYVFK-FXWUPQEYSA-N. The full InChI is InChI=1S/C40H33NO2.C40H39NO2.C36H31NO2/c1-28(42)40(29(2)43-3)38-26-27-39(37-17-11-10-16-36(37)38)41(34-22-18-32(19-23-34)30-12-6-4-7-13-30)35-24-20-33(21-25-35)31-14-8-5-9-15-31;1-26-28(3)40(29(4)27(2)38(26)39(30(5)42)31(6)43-7)41(36-22-18-34(19-23-36)32-14-10-8-11-15-32)37-24-20-35(21-25-37)33-16-12-9-13-17-33;1-26(38)36(27(2)39-3)32-18-24-35(25-19-32)37(33-20-14-30(15-21-33)28-10-6-4-7-11-28)34-22-16-31(17-23-34)29-12-8-5-9-13-29/h4-27H,1-3H3;8-25H,1-7H3;4-25H,1-3H3/b40-29+;39-31+;36-27+.
What are the key properties of (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one?
(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one has a molecular weight of 1635.11 g/mol, XLogP of 30.76, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]pent-3-en-2-one;(Z)-4-methoxy-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one;(Z)-4-methoxy-3-[2,3,5,6-tetramethyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]pent-3-en-2-one is sourced from PubChem (CID 159912190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).