N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)

C38H23NOU — CID 163657084

IUPACN-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)
SMILES[U+2].[c-]1ccccc1-c1[c-]cc(N(c2ccccc2)c2ccc3c(ccc4cc5c(cc43)oc3ccccc35)c2)cc1
InChIInChI=1S/C38H23NO.U/c1-3-9-26(10-4-1)27-17-19-31(20-18-27)39(30-11-5-2-6-12-30)32-21-22-33-28(23-32)15-16-29-24-36-34-13-7-8-14-37(34)40-38(36)25-35(29)33;/h1-9,11-17,19-25H;/q-2;+2
InChIKeyWBANSLXYYRJHOD-UHFFFAOYSA-N
MW747.64 g/mol
LogP10.63
Rot. Bonds4

About N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)

N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+) (PubChem CID 163657084) has the molecular formula C38H23NOU and a molecular weight of 747.64 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+).

Molecular Properties

Compound NameN-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)
PubChem CID163657084
Molecular FormulaC38H23NOU
Molecular Weight747.64 g/mol
Exact Mass747.23
IUPAC NameN-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)
SMILES[U+2].[c-]1ccccc1-c1[c-]cc(N(c2ccccc2)c2ccc3c(ccc4cc5c(cc43)oc3ccccc35)c2)cc1
InChIInChI=1S/C38H23NO.U/c1-3-9-26(10-4-1)27-17-19-31(20-18-27)39(30-11-5-2-6-12-30)32-21-22-33-28(23-32)15-16-29-24-36-34-13-7-8-14-37(34)40-38(36)25-35(29)33;/h1-9,11-17,19-25H;/q-2;+2
InChIKeyWBANSLXYYRJHOD-UHFFFAOYSA-N
XLogP10.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.64
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)?
The IUPAC name of N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+) (CID 163657084) is N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+).
What is the SMILES notation for N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)?
The canonical SMILES for N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+) is [U+2].[c-]1ccccc1-c1[c-]cc(N(c2ccccc2)c2ccc3c(ccc4cc5c(cc43)oc3ccccc35)c2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)?
The InChIKey is WBANSLXYYRJHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO.U/c1-3-9-26(10-4-1)27-17-19-31(20-18-27)39(30-11-5-2-6-12-30)32-21-22-33-28(23-32)15-16-29-24-36-34-13-7-8-14-37(34)40-38(36)25-35(29)33;/h1-9,11-17,19-25H;/q-2;+2.
What are the key properties of N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+)?
N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+) has a molecular weight of 747.64 g/mol, XLogP of 10.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylbenzene-5-id-1-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine;uranium(2+) is sourced from PubChem (CID 163657084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).