[(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate

C208H210ClF13N10O19S — CID 172944989

About [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate

[(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate (PubChem CID 172944989) has the molecular formula C208H210ClF13N10O19S and a molecular weight of 3468.51 g/mol. Its IUPAC name is [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate.

Molecular Properties

• Compound Name: [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate
• PubChem CID: 172944989
• Molecular Formula: C208H210ClF13N10O19S
• Molecular Weight: 3468.51 g/mol
• Exact Mass: 3465.50
• IUPAC Name: [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate
• SMILES: CC(=O)O/N=C(\C)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC1CCCCC1.CCCC(CC)Cn1c2ccc(C(=O)c3ccccc3)cc2c2cc(/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)ccc21.CCCCC(CC)Cn1c2ccc(/C(=N\OC(C)=O)c3ccc(OCC(F)(F)F)cc3OCCC(F)(F)F)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(/C(=N\OC(C)=O)c3ccccc3OCC(F)(F)C(F)F)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(/C(=N\OC(C)=O)c3ccccc3OCCC(F)(F)F)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21
• InChI: InChI=1S/C48H48F6N2O5.C46H46F4N2O4.C46H47F3N2O4.C37H37ClN2O3S.C31H32N2O3/c1-7-9-12-32(8-2)26-56-41-18-15-33(44(55-61-31(6)57)37-17-16-34(60-27-48(52,53)54)24-42(37)59-20-19-47(49,50)51)23-38(41)39-25-40(35-13-10-11-14-36(35)45(39)56)46(58)43-29(4)21-28(3)22-30(43)5;1-7-9-14-31(8-2)25-52-39-20-19-32(42(51-56-30(6)53)35-17-12-13-18-40(35)55-26-46(49,50)45(47)48)23-36(39)37-24-38(33-15-10-11-16-34(33)43(37)52)44(54)41-28(4)21-27(3)22-29(41)5;1-7-9-14-32(8-2)27-51-40-20-19-33(43(50-55-31(6)52)36-17-12-13-18-41(36)54-22-21-46(47,48)49)25-37(40)38-26-39(34-15-10-11-16-35(34)44(38)51)45(53)42-29(4)23-28(3)24-30(42)5;1-4-9-26(5-2)24-40-35-18-12-28(34(39-43-25(3)41)20-21-44-31-16-14-30(38)15-17-31)22-32(35)33-23-29(13-19-36(33)40)37(42)27-10-7-6-8-11-27;1-20-9-7-8-12-26(20)31(35)25-14-16-30-28(18-25)27-17-24(21(2)32-36-22(3)34)13-15-29(27)33(30)19-23-10-5-4-6-11-23/h10-11,13-18,21-25,32H,7-9,12,19-20,26-27H2,1-6H3;10-13,15-24,31,45H,7-9,14,25-26H2,1-6H3;10-13,15-20,23-26,32H,7-9,14,21-22,27H2,1-6H3;6-8,10-19,22-23,26H,4-5,9,20-21,24H2,1-3H3;7-9,12-18,23H,4-6,10-11,19H2,1-3H3/b55-44+;51-42+;50-43+;39-34+;32-21+
• InChIKey: GUZJNPGGIQOAKY-KZHSQQKYSA-N
• XLogP: 53.95
• TPSA: 340.22 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 64
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3468.51
LogP ≤ 5	53.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate?

The IUPAC name of [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate (CID 172944989) is [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate.

What is the SMILES notation for [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate?

The canonical SMILES for [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate is CC(=O)O/N=C(\C)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC1CCCCC1.CCCC(CC)Cn1c2ccc(C(=O)c3ccccc3)cc2c2cc(/C(CCSc3ccc(Cl)cc3)=N/OC(C)=O)ccc21.CCCCC(CC)Cn1c2ccc(/C(=N\OC(C)=O)c3ccc(OCC(F)(F)F)cc3OCCC(F)(F)F)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(/C(=N\OC(C)=O)c3ccccc3OCC(F)(F)C(F)F)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.CCCCC(CC)Cn1c2ccc(/C(=N\OC(C)=O)c3ccccc3OCCC(F)(F)F)cc2c2cc(C(=O)c3c(C)cc(C)cc3C)c3ccccc3c21.

What is the InChIKey of [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate?

The InChIKey is GUZJNPGGIQOAKY-KZHSQQKYSA-N. The full InChI is InChI=1S/C48H48F6N2O5.C46H46F4N2O4.C46H47F3N2O4.C37H37ClN2O3S.C31H32N2O3/c1-7-9-12-32(8-2)26-56-41-18-15-33(44(55-61-31(6)57)37-17-16-34(60-27-48(52,53)54)24-42(37)59-20-19-47(49,50)51)23-38(41)39-25-40(35-13-10-11-14-36(35)45(39)56)46(58)43-29(4)21-28(3)22-30(43)5;1-7-9-14-31(8-2)25-52-39-20-19-32(42(51-56-30(6)53)35-17-12-13-18-40(35)55-26-46(49,50)45(47)48)23-36(39)37-24-38(33-15-10-11-16-34(33)43(37)52)44(54)41-28(4)21-27(3)22-29(41)5;1-7-9-14-32(8-2)27-51-40-20-19-33(43(50-55-31(6)52)36-17-12-13-18-41(36)54-22-21-46(47,48)49)25-37(40)38-26-39(34-15-10-11-16-35(34)44(38)51)45(53)42-29(4)23-28(3)24-30(42)5;1-4-9-26(5-2)24-40-35-18-12-28(34(39-43-25(3)41)20-21-44-31-16-14-30(38)15-17-31)22-32(35)33-23-29(13-19-36(33)40)37(42)27-10-7-6-8-11-27;1-20-9-7-8-12-26(20)31(35)25-14-16-30-28(18-25)27-17-24(21(2)32-36-22(3)34)13-15-29(27)33(30)19-23-10-5-4-6-11-23/h10-11,13-18,21-25,32H,7-9,12,19-20,26-27H2,1-6H3;10-13,15-24,31,45H,7-9,14,25-26H2,1-6H3;10-13,15-20,23-26,32H,7-9,14,21-22,27H2,1-6H3;6-8,10-19,22-23,26H,4-5,9,20-21,24H2,1-3H3;7-9,12-18,23H,4-6,10-11,19H2,1-3H3/b55-44+;51-42+;50-43+;39-34+;32-21+.

What are the key properties of [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate?

[(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate has a molecular weight of 3468.51 g/mol, XLogP of 53.95, 64 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-[1-[6-benzoyl-9-(2-ethylpentyl)carbazol-3-yl]-3-(4-chlorophenyl)sulfanylpropylidene]amino] acetate;[(E)-1-[9-(cyclohexylmethyl)-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[4-(2,2,2-trifluoroethoxy)-2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate;[(E)-[[11-(2-ethylhexyl)-5-(2,4,6-trimethylbenzoyl)benzo[a]carbazol-8-yl]-[2-(3,3,3-trifluoropropoxy)phenyl]methylidene]amino] acetate is sourced from PubChem (CID 172944989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).