[(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate

C185H168ClN13O24 — CID 172985010

About [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate

[(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate (PubChem CID 172985010) has the molecular formula C185H168ClN13O24 and a molecular weight of 2992.90 g/mol. Its IUPAC name is [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate.

Molecular Properties

• Compound Name: [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate
• PubChem CID: 172985010
• Molecular Formula: C185H168ClN13O24
• Molecular Weight: 2992.90 g/mol
• Exact Mass: 2990.20
• IUPAC Name: [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate
• SMILES: C=Cn1c2ccccc2c2cc(/C(=N\OC(=O)c3ccccc3)c3ccc(OC(C)CCl)cc3C)ccc21.CCCn1c2ccc(C(=O)c3ccccc3C)cc2c2ccc(C(=O)/C(C)=N/OC(C)=O)cc21.CCCn1c2ccccc2c2cc(/C(=N\OC(=O)c3ccccc3)c3ccccc3)ccc21.CCn1c2ccc(/C(=N\OC(=O)c3ccccc3)c3ccc(OC(C)COC)cc3C)cc2c2cc([N+](=O)[O-])ccc21.CCn1c2ccc(C(=O)c3ccc(OCC4COC(C)(C)O4)cc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(=N/OC(C)=O)c3ccccc3)ccc21
• InChI: InChI=1S/C33H31N3O6.C32H27ClN2O3.C32H34N2O6.C31H26N2O3.C29H24N2O2.C28H26N2O4/c1-5-35-30-15-11-24(18-28(30)29-19-25(36(38)39)12-16-31(29)35)32(34-42-33(37)23-9-7-6-8-10-23)27-14-13-26(17-21(27)2)41-22(3)20-40-4;1-4-35-29-13-9-8-12-27(29)28-19-24(14-17-30(28)35)31(34-38-32(36)23-10-6-5-7-11-23)26-16-15-25(18-21(26)2)37-22(3)20-33;1-7-34-29-12-8-22(20(3)33-40-21(4)35)15-27(29)28-16-23(9-13-30(28)34)31(36)26-11-10-24(14-19(26)2)37-17-25-18-38-32(5,6)39-25;1-4-33-28-16-14-23(30(32-36-21(3)34)22-11-6-5-7-12-22)18-26(28)27-19-24(15-17-29(27)33)31(35)25-13-9-8-10-20(25)2;1-2-19-31-26-16-10-9-15-24(26)25-20-23(17-18-27(25)31)28(21-11-5-3-6-12-21)30-33-29(32)22-13-7-4-8-14-22;1-5-14-30-25-13-11-20(28(33)22-9-7-6-8-17(22)2)15-24(25)23-12-10-21(16-26(23)30)27(32)18(3)29-34-19(4)31/h6-19,22H,5,20H2,1-4H3;4-19,22H,1,20H2,2-3H3;8-16,25H,7,17-18H2,1-6H3;5-19H,4H2,1-3H3;3-18,20H,2,19H2,1H3;6-13,15-16H,5,14H2,1-4H3/b34-32+;34-31+;33-20+;32-30+;30-28-;29-18+
• InChIKey: NICPUCVIPLQWBT-LTMXFWNESA-N
• XLogP: 40.39
• TPSA: 428.34 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2992.90
LogP ≤ 5	40.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate?

The IUPAC name of [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate (CID 172985010) is [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate.

What is the SMILES notation for [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate?

The canonical SMILES for [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate is C=Cn1c2ccccc2c2cc(/C(=N\OC(=O)c3ccccc3)c3ccc(OC(C)CCl)cc3C)ccc21.CCCn1c2ccc(C(=O)c3ccccc3C)cc2c2ccc(C(=O)/C(C)=N/OC(C)=O)cc21.CCCn1c2ccccc2c2cc(/C(=N\OC(=O)c3ccccc3)c3ccccc3)ccc21.CCn1c2ccc(/C(=N\OC(=O)c3ccccc3)c3ccc(OC(C)COC)cc3C)cc2c2cc([N+](=O)[O-])ccc21.CCn1c2ccc(C(=O)c3ccc(OCC4COC(C)(C)O4)cc3C)cc2c2cc(/C(C)=N/OC(C)=O)ccc21.CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(/C(=N/OC(C)=O)c3ccccc3)ccc21.

What is the InChIKey of [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate?

The InChIKey is NICPUCVIPLQWBT-LTMXFWNESA-N. The full InChI is InChI=1S/C33H31N3O6.C32H27ClN2O3.C32H34N2O6.C31H26N2O3.C29H24N2O2.C28H26N2O4/c1-5-35-30-15-11-24(18-28(30)29-19-25(36(38)39)12-16-31(29)35)32(34-42-33(37)23-9-7-6-8-10-23)27-14-13-26(17-21(27)2)41-22(3)20-40-4;1-4-35-29-13-9-8-12-27(29)28-19-24(14-17-30(28)35)31(34-38-32(36)23-10-6-5-7-11-23)26-16-15-25(18-21(26)2)37-22(3)20-33;1-7-34-29-12-8-22(20(3)33-40-21(4)35)15-27(29)28-16-23(9-13-30(28)34)31(36)26-11-10-24(14-19(26)2)37-17-25-18-38-32(5,6)39-25;1-4-33-28-16-14-23(30(32-36-21(3)34)22-11-6-5-7-12-22)18-26(28)27-19-24(15-17-29(27)33)31(35)25-13-9-8-10-20(25)2;1-2-19-31-26-16-10-9-15-24(26)25-20-23(17-18-27(25)31)28(21-11-5-3-6-12-21)30-33-29(32)22-13-7-4-8-14-22;1-5-14-30-25-13-11-20(28(33)22-9-7-6-8-17(22)2)15-24(25)23-12-10-21(16-26(23)30)27(32)18(3)29-34-19(4)31/h6-19,22H,5,20H2,1-4H3;4-19,22H,1,20H2,2-3H3;8-16,25H,7,17-18H2,1-6H3;5-19H,4H2,1-3H3;3-18,20H,2,19H2,1H3;6-13,15-16H,5,14H2,1-4H3/b34-32+;34-31+;33-20+;32-30+;30-28-;29-18+.

What are the key properties of [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate?

[(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate has a molecular weight of 2992.90 g/mol, XLogP of 40.39, 45 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-[[4-(1-chloropropan-2-yloxy)-2-methylphenyl]-(9-ethenylcarbazol-3-yl)methylidene]amino] benzoate;[(E)-1-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-methylbenzoyl]-9-ethylcarbazol-3-yl]ethylideneamino] acetate;[(E)-[[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-phenylmethylidene]amino] acetate;[(E)-[(9-ethyl-6-nitrocarbazol-3-yl)-[4-(1-methoxypropan-2-yloxy)-2-methylphenyl]methylidene]amino] benzoate;[(E)-[1-[6-(2-methylbenzoyl)-9-propylcarbazol-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[phenyl-(9-propylcarbazol-3-yl)methylidene]amino] benzoate is sourced from PubChem (CID 172985010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).