2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile

C174H236F6N32O4 — CID 161022907

About 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile

2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile (PubChem CID 161022907) has the molecular formula C174H236F6N32O4 and a molecular weight of 2954.01 g/mol. Its IUPAC name is 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile
• PubChem CID: 161022907
• Molecular Formula: C174H236F6N32O4
• Molecular Weight: 2954.01 g/mol
• Exact Mass: 2951.92
• IUPAC Name: 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile
• SMILES: [H]/N=C1\C(=NNc2c(C#N)cccc2C#N)C(C(C)(C)C)=CC1c1cc(C2C=C(C(C)(C)C)C(=NNc3c([N+]#[C-])cccc3[N+]#[C-])/C2=N\[H])ncn1.[H]/N=C1\C(=NNc2c(C(=O)N(CC(CC)CCCC)C(CC)CCCC)cccc2C(=O)N(CC(CC)CCCC)C(CC)CCCC)C(C(C)(C)C)=CC1c1cc(C2C=C(C(C)(C)C)C(=NNc3c(C(=O)N(CC(CC)CCCC)C(CC)CCCC)cccc3C(=O)N(CC(CC)CCCC)C(CC)CCCC)/C2=N/[H])ncn1.[H]/N=C1\C(=NNc2c(C)cccc2C)C(C(C)(C)C)=CC1c1cc(C2C=C(C(C)(C)C)C(=NNc3c(C(F)(F)F)cccc3C(F)(F)F)/C2=N/[H])ncn1
• InChI: InChI=1S/C98H162N12O4.C38H40F6N8.C38H34N12/c1-23-39-49-69(31-9)64-107(73(35-13)53-43-27-5)93(111)77-57-47-58-78(94(112)108(74(36-14)54-44-28-6)65-70(32-10)50-40-24-2)89(77)103-105-91-83(97(17,18)19)61-81(87(91)99)85-63-86(102-68-101-85)82-62-84(98(20,21)22)92(88(82)100)106-104-90-79(95(113)109(75(37-15)55-45-29-7)66-71(33-11)51-41-25-3)59-48-60-80(90)96(114)110(76(38-16)56-46-30-8)67-72(34-12)52-42-26-4;1-19-11-9-12-20(2)31(19)49-51-33-25(35(3,4)5)15-21(29(33)45)27-17-28(48-18-47-27)22-16-26(36(6,7)8)34(30(22)46)52-50-32-23(37(39,40)41)13-10-14-24(32)38(42,43)44;1-37(2,3)25-15-23(31(41)34(25)48-47-33-21(18-39)11-9-12-22(33)19-40)29-17-30(46-20-45-29)24-16-26(38(4,5)6)35(32(24)42)49-50-36-27(43-7)13-10-14-28(36)44-8/h47-48,57-63,68-76,81-82,99-100,103-104H,23-46,49-56,64-67H2,1-22H3;9-18,21-22,45-46,49-50H,1-8H3;9-17,20,23-24,41-42,47,50H,1-6H3/b99-87-,100-88+,105-91?,106-92?;45-29-,46-30+,51-33?,52-34?;41-31-,42-32-,48-34?,49-35?
• InChIKey: FRIICYIMGFTNBQ-FIJOKMLUSA-N
• XLogP: 44.78
• TPSA: 504.32 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 66
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2954.01
LogP ≤ 5	44.78
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile?

The IUPAC name of 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile (CID 161022907) is 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile is [H]/N=C1\C(=NNc2c(C#N)cccc2C#N)C(C(C)(C)C)=CC1c1cc(C2C=C(C(C)(C)C)C(=NNc3c([N+]#[C-])cccc3[N+]#[C-])/C2=N\[H])ncn1.[H]/N=C1\C(=NNc2c(C(=O)N(CC(CC)CCCC)C(CC)CCCC)cccc2C(=O)N(CC(CC)CCCC)C(CC)CCCC)C(C(C)(C)C)=CC1c1cc(C2C=C(C(C)(C)C)C(=NNc3c(C(=O)N(CC(CC)CCCC)C(CC)CCCC)cccc3C(=O)N(CC(CC)CCCC)C(CC)CCCC)/C2=N/[H])ncn1.[H]/N=C1\C(=NNc2c(C)cccc2C)C(C(C)(C)C)=CC1c1cc(C2C=C(C(C)(C)C)C(=NNc3c(C(F)(F)F)cccc3C(F)(F)F)/C2=N/[H])ncn1.

What is the InChIKey of 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile?

The InChIKey is FRIICYIMGFTNBQ-FIJOKMLUSA-N. The full InChI is InChI=1S/C98H162N12O4.C38H40F6N8.C38H34N12/c1-23-39-49-69(31-9)64-107(73(35-13)53-43-27-5)93(111)77-57-47-58-78(94(112)108(74(36-14)54-44-28-6)65-70(32-10)50-40-24-2)89(77)103-105-91-83(97(17,18)19)61-81(87(91)99)85-63-86(102-68-101-85)82-62-84(98(20,21)22)92(88(82)100)106-104-90-79(95(113)109(75(37-15)55-45-29-7)66-71(33-11)51-41-25-3)59-48-60-80(90)96(114)110(76(38-16)56-46-30-8)67-72(34-12)52-42-26-4;1-19-11-9-12-20(2)31(19)49-51-33-25(35(3,4)5)15-21(29(33)45)27-17-28(48-18-47-27)22-16-26(36(6,7)8)34(30(22)46)52-50-32-23(37(39,40)41)13-10-14-24(32)38(42,43)44;1-37(2,3)25-15-23(31(41)34(25)48-47-33-21(18-39)11-9-12-22(33)19-40)29-17-30(46-20-45-29)24-16-26(38(4,5)6)35(32(24)42)49-50-36-27(43-7)13-10-14-28(36)44-8/h47-48,57-63,68-76,81-82,99-100,103-104H,23-46,49-56,64-67H2,1-22H3;9-18,21-22,45-46,49-50H,1-8H3;9-17,20,23-24,41-42,47,50H,1-6H3/b99-87-,100-88+,105-91?,106-92?;45-29-,46-30+,51-33?,52-34?;41-31-,42-32-,48-34?,49-35?.

What are the key properties of 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile?

2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile has a molecular weight of 2954.01 g/mol, XLogP of 44.78, 66 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[6-[4-[[2,6-bis[2-ethylhexyl(heptan-3-yl)carbamoyl]phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]-1-N,3-N-bis(2-ethylhexyl)-1-N,3-N-di(heptan-3-yl)benzene-1,3-dicarboxamide;N-[[4-[6-[4-[[2,6-bis(trifluoromethyl)phenyl]hydrazinylidene]-3-tert-butyl-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-2-tert-butyl-5-iminocyclopent-2-en-1-ylidene]amino]-2,6-dimethylaniline;2-[2-[2-tert-butyl-4-[6-[3-tert-butyl-4-[(2,6-diisocyanophenyl)hydrazinylidene]-5-iminocyclopent-2-en-1-yl]pyrimidin-4-yl]-5-iminocyclopent-2-en-1-ylidene]hydrazinyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 161022907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).