8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one

C43H39NO2Te — CID 164758769

IUPAC8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
SMILESO=c1c2ccccc2oc2cc3[te]c4c(N(c5cccc(C6CCCCC6)c5)c5cccc(C6CCCCC6)c5)cccc4c3cc12
InChIInChI=1S/C43H39NO2Te/c45-42-35-20-7-8-23-39(35)46-40-27-41-36(26-37(40)42)34-21-11-22-38(43(34)47-41)44(32-18-9-16-30(24-32)28-12-3-1-4-13-28)33-19-10-17-31(25-33)29-14-5-2-6-15-29/h7-11,16-29H,1-6,12-15H2
InChIKeyJCBBHAOUNIATMG-UHFFFAOYSA-N
MW729.39 g/mol
LogP11.87
Rot. Bonds5

About 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one

8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one (PubChem CID 164758769) has the molecular formula C43H39NO2Te and a molecular weight of 729.39 g/mol. Its IUPAC name is 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one.

Molecular Properties

Compound Name8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
PubChem CID164758769
Molecular FormulaC43H39NO2Te
Molecular Weight729.39 g/mol
Exact Mass731.20
IUPAC Name8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
SMILESO=c1c2ccccc2oc2cc3[te]c4c(N(c5cccc(C6CCCCC6)c5)c5cccc(C6CCCCC6)c5)cccc4c3cc12
InChIInChI=1S/C43H39NO2Te/c45-42-35-20-7-8-23-39(35)46-40-27-41-36(26-37(40)42)34-21-11-22-38(43(34)47-41)44(32-18-9-16-30(24-32)28-12-3-1-4-13-28)33-19-10-17-31(25-33)29-14-5-2-6-15-29/h7-11,16-29H,1-6,12-15H2
InChIKeyJCBBHAOUNIATMG-UHFFFAOYSA-N
XLogP11.87
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.39
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one?
The IUPAC name of 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one (CID 164758769) is 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one.
What is the SMILES notation for 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one?
The canonical SMILES for 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one is O=c1c2ccccc2oc2cc3[te]c4c(N(c5cccc(C6CCCCC6)c5)c5cccc(C6CCCCC6)c5)cccc4c3cc12.
What is the InChIKey of 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one?
The InChIKey is JCBBHAOUNIATMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39NO2Te/c45-42-35-20-7-8-23-39(35)46-40-27-41-36(26-37(40)42)34-21-11-22-38(43(34)47-41)44(32-18-9-16-30(24-32)28-12-3-1-4-13-28)33-19-10-17-31(25-33)29-14-5-2-6-15-29/h7-11,16-29H,1-6,12-15H2.
What are the key properties of 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one?
8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one has a molecular weight of 729.39 g/mol, XLogP of 11.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclohexyl-N-(3-cyclohexylphenyl)anilino)-14-oxa-10-tellurapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one is sourced from PubChem (CID 164758769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).