[(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate

C186H142N6O16S2 — CID 172965616

IUPAC[(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate
SMILESCC(=O)O/N=C(/c1ccc(Sc2ccc(C(=O)c3cccc4ccccc34)cc2)cc1)c1ccccc1C.CC(=O)O/N=C(/c1ccc2oc3c4ccccc4c(C(=O)c4cccc5ccccc45)cc3c2c1)c1ccccc1C.CC(=O)O/N=C(/c1ccc2sc3c4ccccc4c(C(=O)c4cccc5ccccc45)cc3c2c1)c1ccccc1C.CCCC1(CCC)c2cc(C(=O)c3cccc4ccccc34)ccc2-c2ccc(/C(=N\OC(C)=O)c3ccccc3C)cc21.CCn1c2ccc(/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3cccc4ccccc34)c3ccccc3c21
InChIInChI=1S/C40H37NO3.C39H30N2O3.C37H25NO4.C37H25NO3S.C33H25NO3S/c1-5-22-40(23-6-2)36-24-29(38(41-44-27(4)42)31-15-9-7-12-26(31)3)18-20-33(36)34-21-19-30(25-37(34)40)39(43)35-17-11-14-28-13-8-10-16-32(28)35;1-4-41-36-21-20-27(37(40-44-25(3)42)28-15-7-5-12-24(28)2)22-33(36)34-23-35(30-17-9-10-18-31(30)38(34)41)39(43)32-19-11-14-26-13-6-8-16-29(26)32;1-22-10-3-5-13-26(22)35(38-42-23(2)39)25-18-19-34-31(20-25)33-21-32(28-15-7-8-16-30(28)37(33)41-34)36(40)29-17-9-12-24-11-4-6-14-27(24)29;1-22-10-3-5-13-26(22)35(38-41-23(2)39)25-18-19-34-31(20-25)33-21-32(28-15-7-8-16-30(28)37(33)42-34)36(40)29-17-9-12-24-11-4-6-14-27(24)29;1-22-8-3-5-11-29(22)32(34-37-23(2)35)25-14-18-27(19-15-25)38-28-20-16-26(17-21-28)33(36)31-13-7-10-24-9-4-6-12-30(24)31/h7-21,24-25H,5-6,22-23H2,1-4H3;5-23H,4H2,1-3H3;2*3-21H,1-2H3;3-21H,1-2H3/b41-38+;40-37-;2*38-35-;34-32-
InChIKeyVOLMTYXPFUCODS-KSVGEKRMSA-N
MW2781.34 g/mol
LogP44.35
Rot. Bonds32

About [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate

[(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate (PubChem CID 172965616) has the molecular formula C186H142N6O16S2 and a molecular weight of 2781.34 g/mol. Its IUPAC name is [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate
PubChem CID172965616
Molecular FormulaC186H142N6O16S2
Molecular Weight2781.34 g/mol
Exact Mass2778.99
IUPAC Name[(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate
SMILESCC(=O)O/N=C(/c1ccc(Sc2ccc(C(=O)c3cccc4ccccc34)cc2)cc1)c1ccccc1C.CC(=O)O/N=C(/c1ccc2oc3c4ccccc4c(C(=O)c4cccc5ccccc45)cc3c2c1)c1ccccc1C.CC(=O)O/N=C(/c1ccc2sc3c4ccccc4c(C(=O)c4cccc5ccccc45)cc3c2c1)c1ccccc1C.CCCC1(CCC)c2cc(C(=O)c3cccc4ccccc34)ccc2-c2ccc(/C(=N\OC(C)=O)c3ccccc3C)cc21.CCn1c2ccc(/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3cccc4ccccc34)c3ccccc3c21
InChIInChI=1S/C40H37NO3.C39H30N2O3.C37H25NO4.C37H25NO3S.C33H25NO3S/c1-5-22-40(23-6-2)36-24-29(38(41-44-27(4)42)31-15-9-7-12-26(31)3)18-20-33(36)34-21-19-30(25-37(34)40)39(43)35-17-11-14-28-13-8-10-16-32(28)35;1-4-41-36-21-20-27(37(40-44-25(3)42)28-15-7-5-12-24(28)2)22-33(36)34-23-35(30-17-9-10-18-31(30)38(34)41)39(43)32-19-11-14-26-13-6-8-16-29(26)32;1-22-10-3-5-13-26(22)35(38-42-23(2)39)25-18-19-34-31(20-25)33-21-32(28-15-7-8-16-30(28)37(33)41-34)36(40)29-17-9-12-24-11-4-6-14-27(24)29;1-22-10-3-5-13-26(22)35(38-41-23(2)39)25-18-19-34-31(20-25)33-21-32(28-15-7-8-16-30(28)37(33)42-34)36(40)29-17-9-12-24-11-4-6-14-27(24)29;1-22-8-3-5-11-29(22)32(34-37-23(2)35)25-14-18-27(19-15-25)38-28-20-16-26(17-21-28)33(36)31-13-7-10-24-9-4-6-12-30(24)31/h7-21,24-25H,5-6,22-23H2,1-4H3;5-23H,4H2,1-3H3;2*3-21H,1-2H3;3-21H,1-2H3/b41-38+;40-37-;2*38-35-;34-32-
InChIKeyVOLMTYXPFUCODS-KSVGEKRMSA-N
XLogP44.35
TPSA296.72 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002781.34
LogP ≤ 544.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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'}

Analyze [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate?
The IUPAC name of [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate (CID 172965616) is [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate.
What is the SMILES notation for [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate?
The canonical SMILES for [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate is CC(=O)O/N=C(/c1ccc(Sc2ccc(C(=O)c3cccc4ccccc34)cc2)cc1)c1ccccc1C.CC(=O)O/N=C(/c1ccc2oc3c4ccccc4c(C(=O)c4cccc5ccccc45)cc3c2c1)c1ccccc1C.CC(=O)O/N=C(/c1ccc2sc3c4ccccc4c(C(=O)c4cccc5ccccc45)cc3c2c1)c1ccccc1C.CCCC1(CCC)c2cc(C(=O)c3cccc4ccccc34)ccc2-c2ccc(/C(=N\OC(C)=O)c3ccccc3C)cc21.CCn1c2ccc(/C(=N/OC(C)=O)c3ccccc3C)cc2c2cc(C(=O)c3cccc4ccccc34)c3ccccc3c21.
What is the InChIKey of [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate?
The InChIKey is VOLMTYXPFUCODS-KSVGEKRMSA-N. The full InChI is InChI=1S/C40H37NO3.C39H30N2O3.C37H25NO4.C37H25NO3S.C33H25NO3S/c1-5-22-40(23-6-2)36-24-29(38(41-44-27(4)42)31-15-9-7-12-26(31)3)18-20-33(36)34-21-19-30(25-37(34)40)39(43)35-17-11-14-28-13-8-10-16-32(28)35;1-4-41-36-21-20-27(37(40-44-25(3)42)28-15-7-5-12-24(28)2)22-33(36)34-23-35(30-17-9-10-18-31(30)38(34)41)39(43)32-19-11-14-26-13-6-8-16-29(26)32;1-22-10-3-5-13-26(22)35(38-42-23(2)39)25-18-19-34-31(20-25)33-21-32(28-15-7-8-16-30(28)37(33)41-34)36(40)29-17-9-12-24-11-4-6-14-27(24)29;1-22-10-3-5-13-26(22)35(38-41-23(2)39)25-18-19-34-31(20-25)33-21-32(28-15-7-8-16-30(28)37(33)42-34)36(40)29-17-9-12-24-11-4-6-14-27(24)29;1-22-8-3-5-11-29(22)32(34-37-23(2)35)25-14-18-27(19-15-25)38-28-20-16-26(17-21-28)33(36)31-13-7-10-24-9-4-6-12-30(24)31/h7-21,24-25H,5-6,22-23H2,1-4H3;5-23H,4H2,1-3H3;2*3-21H,1-2H3;3-21H,1-2H3/b41-38+;40-37-;2*38-35-;34-32-.
What are the key properties of [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate?
[(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate has a molecular weight of 2781.34 g/mol, XLogP of 44.35, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[[11-ethyl-5-(naphthalene-1-carbonyl)benzo[a]carbazol-8-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[(2-methylphenyl)-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzofuran-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)naphtho[1,2-b][1]benzothiol-8-yl]methylidene]amino] acetate;[(Z)-[(2-methylphenyl)-[4-[4-(naphthalene-1-carbonyl)phenyl]sulfanylphenyl]methylidene]amino] acetate is sourced from PubChem (CID 172965616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).