(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile

C204H166N20O6S — CID 157057680

IUPAC(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N3c4ccccc4Oc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N3c4ccccc4Sc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc3c(c2)c2ccccc2n3CC)=C1
InChIInChI=1S/C48H38N4O.C40H32N4O2.C40H32N4OS.C40H32N4O.C36H32N4O/c1-4-51(5-2)40-26-20-35(21-27-40)24-30-42-32-39(46(34-49)50-3)33-43(53-42)31-25-36-22-28-41(29-23-36)52(47-18-10-14-37-12-6-8-16-44(37)47)48-19-11-15-38-13-7-9-17-45(38)48;2*1-4-43(5-2)32-20-14-29(15-21-32)18-24-34-26-31(36(28-41)42-3)27-35(45-34)25-19-30-16-22-33(23-17-30)44-37-10-6-8-12-39(37)46-40-13-9-7-11-38(40)44;1-4-43(5-2)32-20-15-29(16-21-32)17-22-34-26-31(38(28-41)42-3)27-35(45-34)23-18-30-19-24-40-37(25-30)36-13-9-10-14-39(36)44(40)33-11-7-6-8-12-33;1-5-39(6-2)29-17-12-26(13-18-29)14-19-30-23-28(34(25-37)38-4)24-31(41-30)20-15-27-16-21-36-33(22-27)32-10-8-9-11-35(32)40(36)7-3/h6-33H,4-5H2,1-2H3;2*6-27H,4-5H2,1-2H3;6-27H,4-5H2,1-2H3;8-24H,5-7H2,1-3H3/b30-24+,31-25+,46-39+;2*24-18+,25-19+,36-31+;22-17+,23-18+,38-31+;19-14+,20-15+,34-28+
InChIKeyAAYIMQDONSHMNE-GHQYOLBDSA-N
MW3025.77 g/mol
LogP52.28
Rot. Bonds42

About (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile

(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile (PubChem CID 157057680) has the molecular formula C204H166N20O6S and a molecular weight of 3025.77 g/mol. Its IUPAC name is (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile.

Molecular Properties

Compound Name(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile
PubChem CID157057680
Molecular FormulaC204H166N20O6S
Molecular Weight3025.77 g/mol
Exact Mass3023.30
IUPAC Name(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile
SMILES[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N3c4ccccc4Oc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N3c4ccccc4Sc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc3c(c2)c2ccccc2n3CC)=C1
InChIInChI=1S/C48H38N4O.C40H32N4O2.C40H32N4OS.C40H32N4O.C36H32N4O/c1-4-51(5-2)40-26-20-35(21-27-40)24-30-42-32-39(46(34-49)50-3)33-43(53-42)31-25-36-22-28-41(29-23-36)52(47-18-10-14-37-12-6-8-16-44(37)47)48-19-11-15-38-13-7-9-17-45(38)48;2*1-4-43(5-2)32-20-14-29(15-21-32)18-24-34-26-31(36(28-41)42-3)27-35(45-34)25-19-30-16-22-33(23-17-30)44-37-10-6-8-12-39(37)46-40-13-9-7-11-38(40)44;1-4-43(5-2)32-20-15-29(16-21-32)17-22-34-26-31(38(28-41)42-3)27-35(45-34)23-18-30-19-24-40-37(25-30)36-13-9-10-14-39(36)44(40)33-11-7-6-8-12-33;1-5-39(6-2)29-17-12-26(13-18-29)14-19-30-23-28(34(25-37)38-4)24-31(41-30)20-15-27-16-21-36-33(22-27)32-10-8-9-11-35(32)40(36)7-3/h6-33H,4-5H2,1-2H3;2*6-27H,4-5H2,1-2H3;6-27H,4-5H2,1-2H3;8-24H,5-7H2,1-3H3/b30-24+,31-25+,46-39+;2*24-18+,25-19+,36-31+;22-17+,23-18+,38-31+;19-14+,20-15+,34-28+
InChIKeyAAYIMQDONSHMNE-GHQYOLBDSA-N
XLogP52.28
TPSA231.91 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003025.77
LogP ≤ 552.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile?
The IUPAC name of (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile (CID 157057680) is (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile.
What is the SMILES notation for (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile?
The canonical SMILES for (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile is [C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N3c4ccccc4Oc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc(N3c4ccccc4Sc4ccccc43)cc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2ccc(N(CC)CC)cc2)OC(/C=C/c2ccc3c(c2)c2ccccc2n3CC)=C1.
What is the InChIKey of (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile?
The InChIKey is AAYIMQDONSHMNE-GHQYOLBDSA-N. The full InChI is InChI=1S/C48H38N4O.C40H32N4O2.C40H32N4OS.C40H32N4O.C36H32N4O/c1-4-51(5-2)40-26-20-35(21-27-40)24-30-42-32-39(46(34-49)50-3)33-43(53-42)31-25-36-22-28-41(29-23-36)52(47-18-10-14-37-12-6-8-16-44(37)47)48-19-11-15-38-13-7-9-17-45(38)48;2*1-4-43(5-2)32-20-14-29(15-21-32)18-24-34-26-31(36(28-41)42-3)27-35(45-34)25-19-30-16-22-33(23-17-30)44-37-10-6-8-12-39(37)46-40-13-9-7-11-38(40)44;1-4-43(5-2)32-20-15-29(16-21-32)17-22-34-26-31(38(28-41)42-3)27-35(45-34)23-18-30-19-24-40-37(25-30)36-13-9-10-14-39(36)44(40)33-11-7-6-8-12-33;1-5-39(6-2)29-17-12-26(13-18-29)14-19-30-23-28(34(25-37)38-4)24-31(41-30)20-15-27-16-21-36-33(22-27)32-10-8-9-11-35(32)40(36)7-3/h6-33H,4-5H2,1-2H3;2*6-27H,4-5H2,1-2H3;6-27H,4-5H2,1-2H3;8-24H,5-7H2,1-3H3/b30-24+,31-25+,46-39+;2*24-18+,25-19+,36-31+;22-17+,23-18+,38-31+;19-14+,20-15+,34-28+.
What are the key properties of (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile?
(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile has a molecular weight of 3025.77 g/mol, XLogP of 52.28, 42 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(dinaphthalen-1-ylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile is sourced from PubChem (CID 157057680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).