[(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine

C46H34N2O2 — CID 143904585

About [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine

[(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine (PubChem CID 143904585) has the molecular formula C46H34N2O2 and a molecular weight of 646.79 g/mol. Its IUPAC name is [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine.

Molecular Properties

• Compound Name: [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine
• PubChem CID: 143904585
• Molecular Formula: C46H34N2O2
• Molecular Weight: 646.79 g/mol
• Exact Mass: 646.26
• IUPAC Name: [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine
• SMILES: Cc1cccc(-c2ccc3oc4c(ccc5c6cc(-c7cccc(C(/C=C(\NN)c8ccccc8)c8ccccc8)c7)ccc6oc54)c3c2)c1
• InChI: InChI=1S/C46H34N2O2/c1-29-10-8-15-32(24-29)34-18-22-43-40(26-34)37-20-21-38-41-27-35(19-23-44(41)50-46(38)45(37)49-43)33-16-9-17-36(25-33)39(30-11-4-2-5-12-30)28-42(48-47)31-13-6-3-7-14-31/h2-28,39,48H,47H2,1H3/b42-28-
• InChIKey: KBCMGCBOYLHGBD-RKMIRMFUSA-N
• XLogP: 11.76
• TPSA: 64.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.79
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine?

The IUPAC name of [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine (CID 143904585) is [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine.

What is the SMILES notation for [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine?

The canonical SMILES for [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine is Cc1cccc(-c2ccc3oc4c(ccc5c6cc(-c7cccc(C(/C=C(\NN)c8ccccc8)c8ccccc8)c7)ccc6oc54)c3c2)c1.

What is the InChIKey of [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine?

The InChIKey is KBCMGCBOYLHGBD-RKMIRMFUSA-N. The full InChI is InChI=1S/C46H34N2O2/c1-29-10-8-15-32(24-29)34-18-22-43-40(26-34)37-20-21-38-41-27-35(19-23-44(41)50-46(38)45(37)49-43)33-16-9-17-36(25-33)39(30-11-4-2-5-12-30)28-42(48-47)31-13-6-3-7-14-31/h2-28,39,48H,47H2,1H3/b42-28-.

What are the key properties of [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine?

[(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine has a molecular weight of 646.79 g/mol, XLogP of 11.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-3-[3-[16-(3-methylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]phenyl]-1,3-diphenylprop-1-enyl]hydrazine is sourced from PubChem (CID 143904585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).