(4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene

C30H19Cl2NO — CID 144650904

IUPAC(4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene
SMILESC=C1/C=C\C=C/N(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C30H19Cl2NO/c1-19-6-4-5-15-33(24-11-9-20(10-12-24)21-16-22(31)18-23(32)17-21)27-14-13-26-25-7-2-3-8-28(25)34-30(26)29(19)27/h2-18H,1H2/b6-4-,15-5-
InChIKeyBSJVRVLSEPWBJZ-QRRQCYJXSA-N
MW480.39 g/mol
LogP9.79
Rot. Bonds2

About (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene

(4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene (PubChem CID 144650904) has the molecular formula C30H19Cl2NO and a molecular weight of 480.39 g/mol. Its IUPAC name is (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene.

Molecular Properties

Compound Name(4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene
PubChem CID144650904
Molecular FormulaC30H19Cl2NO
Molecular Weight480.39 g/mol
Exact Mass479.08
IUPAC Name(4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene
SMILESC=C1/C=C\C=C/N(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C30H19Cl2NO/c1-19-6-4-5-15-33(24-11-9-20(10-12-24)21-16-22(31)18-23(32)17-21)27-14-13-26-25-7-2-3-8-28(25)34-30(26)29(19)27/h2-18H,1H2/b6-4-,15-5-
InChIKeyBSJVRVLSEPWBJZ-QRRQCYJXSA-N
XLogP9.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene?
The IUPAC name of (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene (CID 144650904) is (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene.
What is the SMILES notation for (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene?
The canonical SMILES for (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene is C=C1/C=C\C=C/N(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene?
The InChIKey is BSJVRVLSEPWBJZ-QRRQCYJXSA-N. The full InChI is InChI=1S/C30H19Cl2NO/c1-19-6-4-5-15-33(24-11-9-20(10-12-24)21-16-22(31)18-23(32)17-21)27-14-13-26-25-7-2-3-8-28(25)34-30(26)29(19)27/h2-18H,1H2/b6-4-,15-5-.
What are the key properties of (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene?
(4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene has a molecular weight of 480.39 g/mol, XLogP of 9.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene is sourced from PubChem (CID 144650904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).