(14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene

C42H36N2P2 — CID 122368052

IUPAC(14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene
SMILESC1=N/[C@H](c2ccccc2)[C@@H](c2ccccc2)/N=C/c2ccccc2[P@](c2ccccc2)CC[P@@](c2ccccc2)c2ccccc2/1
InChIInChI=1S/C42H36N2P2/c1-5-17-33(18-6-1)41-42(34-19-7-2-8-20-34)44-32-36-22-14-16-28-40(36)46(38-25-11-4-12-26-38)30-29-45(37-23-9-3-10-24-37)39-27-15-13-21-35(39)31-43-41/h1-28,31-32,41-42H,29-30H2/b43-31+,44-32+/t41-,42-,45+,46+/m1/s1
InChIKeyUJBMDTXNSFLBRR-MZNXWZQQSA-N
MW630.71 g/mol
LogP8.59
Rot. Bonds4

About (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene

(14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene (PubChem CID 122368052) has the molecular formula C42H36N2P2 and a molecular weight of 630.71 g/mol. Its IUPAC name is (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene.

Molecular Properties

Compound Name(14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene
PubChem CID122368052
Molecular FormulaC42H36N2P2
Molecular Weight630.71 g/mol
Exact Mass630.24
IUPAC Name(14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene
SMILESC1=N/[C@H](c2ccccc2)[C@@H](c2ccccc2)/N=C/c2ccccc2[P@](c2ccccc2)CC[P@@](c2ccccc2)c2ccccc2/1
InChIInChI=1S/C42H36N2P2/c1-5-17-33(18-6-1)41-42(34-19-7-2-8-20-34)44-32-36-22-14-16-28-40(36)46(38-25-11-4-12-26-38)30-29-45(37-23-9-3-10-24-37)39-27-15-13-21-35(39)31-43-41/h1-28,31-32,41-42H,29-30H2/b43-31+,44-32+/t41-,42-,45+,46+/m1/s1
InChIKeyUJBMDTXNSFLBRR-MZNXWZQQSA-N
XLogP8.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.71
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene?
The IUPAC name of (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene (CID 122368052) is (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene.
What is the SMILES notation for (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene?
The canonical SMILES for (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene is C1=N/[C@H](c2ccccc2)[C@@H](c2ccccc2)/N=C/c2ccccc2[P@](c2ccccc2)CC[P@@](c2ccccc2)c2ccccc2/1.
What is the InChIKey of (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene?
The InChIKey is UJBMDTXNSFLBRR-MZNXWZQQSA-N. The full InChI is InChI=1S/C42H36N2P2/c1-5-17-33(18-6-1)41-42(34-19-7-2-8-20-34)44-32-36-22-14-16-28-40(36)46(38-25-11-4-12-26-38)30-29-45(37-23-9-3-10-24-37)39-27-15-13-21-35(39)31-43-41/h1-28,31-32,41-42H,29-30H2/b43-31+,44-32+/t41-,42-,45+,46+/m1/s1.
What are the key properties of (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene?
(14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene has a molecular weight of 630.71 g/mol, XLogP of 8.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (14R,15R)-2,5,14,15-tetraphenyl-13,16-diaza-2,5-diphosphatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene is sourced from PubChem (CID 122368052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).