(15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine

C40H34N2P2 — CID 132513866

IUPAC(15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine
SMILESc1ccc(P(N[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2NP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H34N2P2/c1-5-17-29(18-6-1)43(30-19-7-2-8-20-30)41-39-37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(39)42-44(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37-42H/t37?,38?,39-,40-/m1/s1
InChIKeySXPRZDDIJXDWHH-HVDOYAPBSA-N
MW604.67 g/mol
LogP7.29
Rot. Bonds8

About (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine

(15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine (PubChem CID 132513866) has the molecular formula C40H34N2P2 and a molecular weight of 604.67 g/mol. Its IUPAC name is (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine.

Molecular Properties

Compound Name(15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine
PubChem CID132513866
Molecular FormulaC40H34N2P2
Molecular Weight604.67 g/mol
Exact Mass604.22
IUPAC Name(15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine
SMILESc1ccc(P(N[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2NP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H34N2P2/c1-5-17-29(18-6-1)43(30-19-7-2-8-20-30)41-39-37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(39)42-44(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37-42H/t37?,38?,39-,40-/m1/s1
InChIKeySXPRZDDIJXDWHH-HVDOYAPBSA-N
XLogP7.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.67
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine with MolForge

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Related Compounds

1-(diphenylphosphanylamino)-2,3-dihydro-1H-inden-2-ol
CID 4270592
trans-(1S,2S)-1-N,2-N-bis(diphenylphosphanyl)cyclohexane-1,2-diamine
CID 87643096
N-diphenylphosphanylmethanamine
CID 11365917
1,3-bis(diphenylphosphanyl)thiourea
CID 11189990
triphenylphosphane
CID 139056248
pentacyclo[6.6.4.215,18.02,7.09,14]icosa-2,4,6,9,11,13,16,19-octaene
CID 12885776
(15R,16R)-15-N,16-N-bis(2-diphenylphosphanylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide
CID 11814772
diphenylphosphanylthiourea
CID 11467905
chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride
CID 175534500
(2R,3R)-1,4-diphenyl-1,2,3,4-tetrahydronaphthalene-2,3-dicarbonitrile
CID 101394519
nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)
CID 173393317
(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
CID 95564439

Frequently Asked Questions

What is the IUPAC name of (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine?
The IUPAC name of (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine (CID 132513866) is (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine.
What is the SMILES notation for (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine?
The canonical SMILES for (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine is c1ccc(P(N[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2NP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine?
The InChIKey is SXPRZDDIJXDWHH-HVDOYAPBSA-N. The full InChI is InChI=1S/C40H34N2P2/c1-5-17-29(18-6-1)43(30-19-7-2-8-20-30)41-39-37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(39)42-44(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28,37-42H/t37?,38?,39-,40-/m1/s1.
What are the key properties of (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine?
(15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine has a molecular weight of 604.67 g/mol, XLogP of 7.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,16R)-15-N,16-N-bis(diphenylphosphanyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine is sourced from PubChem (CID 132513866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).