bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine

C155H172N24 — CID 172917234

IUPACbis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine
SMILESCC(=N\n1c(-c2cccc3ccccc23)ccc1-c1cccc2ccccc12)/C(C)=N/n1c(-c2cccc3ccccc23)ccc1-c1cccc2ccccc12.CC(=N\n1c(C)cc(C)c1C1CC1)/C(C)=N/n1c(C)cc(C)c1C1CC1.CC(=N\n1c(C)cc(C)c1C1CC1)/C(C)=N/n1c(C)cc(C)c1C1CC1.CC(=N\n1c(C)ccc1C)/C(C)=N/n1c(-c2cccc3ccccc23)cc(C)c1C.CC(=N\n1c(C)ccc1C)/C(C)=N/n1c(C)cc(C)c1C.CC(=N\n1c(C)ccc1C)/C(C)=N/n1c(C)ccc1C
InChIInChI=1S/C52H38N4.C26H28N4.2C22H30N4.C17H24N4.C16H22N4/c1-35(53-55-49(45-27-11-19-37-15-3-7-23-41(37)45)31-32-50(55)46-28-12-20-38-16-4-8-24-42(38)46)36(2)54-56-51(47-29-13-21-39-17-5-9-25-43(39)47)33-34-52(56)48-30-14-22-40-18-6-10-26-44(40)48;1-17-16-26(25-13-9-11-23-10-7-8-12-24(23)25)30(22(17)6)28-21(5)20(4)27-29-18(2)14-15-19(29)3;2*1-13-11-15(3)25(21(13)19-7-8-19)23-17(5)18(6)24-26-16(4)12-14(2)22(26)20-9-10-20;1-11-10-14(4)21(17(11)7)19-16(6)15(5)18-20-12(2)8-9-13(20)3;1-11-7-8-12(2)19(11)17-15(5)16(6)18-20-13(3)9-10-14(20)4/h3-34H,1-2H3;7-16H,1-6H3;2*11-12,19-20H,7-10H2,1-6H3;8-10H,1-7H3;7-10H,1-6H3/b53-35+,54-36+;27-20+,28-21+;2*23-17+,24-18+;18-15+,19-16+;17-15+,18-16+
InChIKeyKWCZHGUTWWPKNT-NOMMVGQFSA-N
MW2371.25 g/mol
LogP38.71
Rot. Bonds27

About bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine

bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine (PubChem CID 172917234) has the molecular formula C155H172N24 and a molecular weight of 2371.25 g/mol. Its IUPAC name is bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine.

Molecular Properties

Compound Namebis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine
PubChem CID172917234
Molecular FormulaC155H172N24
Molecular Weight2371.25 g/mol
Exact Mass2369.42
IUPAC Namebis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine
SMILESCC(=N\n1c(-c2cccc3ccccc23)ccc1-c1cccc2ccccc12)/C(C)=N/n1c(-c2cccc3ccccc23)ccc1-c1cccc2ccccc12.CC(=N\n1c(C)cc(C)c1C1CC1)/C(C)=N/n1c(C)cc(C)c1C1CC1.CC(=N\n1c(C)cc(C)c1C1CC1)/C(C)=N/n1c(C)cc(C)c1C1CC1.CC(=N\n1c(C)ccc1C)/C(C)=N/n1c(-c2cccc3ccccc23)cc(C)c1C.CC(=N\n1c(C)ccc1C)/C(C)=N/n1c(C)cc(C)c1C.CC(=N\n1c(C)ccc1C)/C(C)=N/n1c(C)ccc1C
InChIInChI=1S/C52H38N4.C26H28N4.2C22H30N4.C17H24N4.C16H22N4/c1-35(53-55-49(45-27-11-19-37-15-3-7-23-41(37)45)31-32-50(55)46-28-12-20-38-16-4-8-24-42(38)46)36(2)54-56-51(47-29-13-21-39-17-5-9-25-43(39)47)33-34-52(56)48-30-14-22-40-18-6-10-26-44(40)48;1-17-16-26(25-13-9-11-23-10-7-8-12-24(23)25)30(22(17)6)28-21(5)20(4)27-29-18(2)14-15-19(29)3;2*1-13-11-15(3)25(21(13)19-7-8-19)23-17(5)18(6)24-26-16(4)12-14(2)22(26)20-9-10-20;1-11-10-14(4)21(17(11)7)19-16(6)15(5)18-20-12(2)8-9-13(20)3;1-11-7-8-12(2)19(11)17-15(5)16(6)18-20-13(3)9-10-14(20)4/h3-34H,1-2H3;7-16H,1-6H3;2*11-12,19-20H,7-10H2,1-6H3;8-10H,1-7H3;7-10H,1-6H3/b53-35+,54-36+;27-20+,28-21+;2*23-17+,24-18+;18-15+,19-16+;17-15+,18-16+
InChIKeyKWCZHGUTWWPKNT-NOMMVGQFSA-N
XLogP38.71
TPSA207.48 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002371.25
LogP ≤ 538.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine with MolForge

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Related Compounds

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CID 142013846
ethyl 1-[3-(2,5-diphenylpyrrol-1-yl)iminobutan-2-ylideneamino]-5-naphthalen-1-yl-2-phenylpyrrole-3-carboxylate
CID 72655982
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
CID 63354926
1-(2-methylphenyl)picene
CID 173138076
(NE)-N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 135871346
N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 162770634
1,3-dimethyl-2-naphthalen-1-ylphenanthrene
CID 15440758
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096

Frequently Asked Questions

What is the IUPAC name of bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine?
The IUPAC name of bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine (CID 172917234) is bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine.
What is the SMILES notation for bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine?
The canonical SMILES for bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine is CC(=N\n1c(-c2cccc3ccccc23)ccc1-c1cccc2ccccc12)/C(C)=N/n1c(-c2cccc3ccccc23)ccc1-c1cccc2ccccc12.CC(=N\n1c(C)cc(C)c1C1CC1)/C(C)=N/n1c(C)cc(C)c1C1CC1.CC(=N\n1c(C)cc(C)c1C1CC1)/C(C)=N/n1c(C)cc(C)c1C1CC1.CC(=N\n1c(C)ccc1C)/C(C)=N/n1c(-c2cccc3ccccc23)cc(C)c1C.CC(=N\n1c(C)ccc1C)/C(C)=N/n1c(C)cc(C)c1C.CC(=N\n1c(C)ccc1C)/C(C)=N/n1c(C)ccc1C.
What is the InChIKey of bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine?
The InChIKey is KWCZHGUTWWPKNT-NOMMVGQFSA-N. The full InChI is InChI=1S/C52H38N4.C26H28N4.2C22H30N4.C17H24N4.C16H22N4/c1-35(53-55-49(45-27-11-19-37-15-3-7-23-41(37)45)31-32-50(55)46-28-12-20-38-16-4-8-24-42(38)46)36(2)54-56-51(47-29-13-21-39-17-5-9-25-43(39)47)33-34-52(56)48-30-14-22-40-18-6-10-26-44(40)48;1-17-16-26(25-13-9-11-23-10-7-8-12-24(23)25)30(22(17)6)28-21(5)20(4)27-29-18(2)14-15-19(29)3;2*1-13-11-15(3)25(21(13)19-7-8-19)23-17(5)18(6)24-26-16(4)12-14(2)22(26)20-9-10-20;1-11-10-14(4)21(17(11)7)19-16(6)15(5)18-20-12(2)8-9-13(20)3;1-11-7-8-12(2)19(11)17-15(5)16(6)18-20-13(3)9-10-14(20)4/h3-34H,1-2H3;7-16H,1-6H3;2*11-12,19-20H,7-10H2,1-6H3;8-10H,1-7H3;7-10H,1-6H3/b53-35+,54-36+;27-20+,28-21+;2*23-17+,24-18+;18-15+,19-16+;17-15+,18-16+.
What are the key properties of bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine?
bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine has a molecular weight of 2371.25 g/mol, XLogP of 38.71, 27 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine is sourced from PubChem (CID 172917234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).