(12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C44H32P2 — CID 143731061

IUPAC(12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESc1ccc2c3c(ccc2c1)CP[C@@H]([C@@H]1PCc2ccc4ccccc4c2-c2c1ccc1ccccc21)c1ccc2ccccc2c1-3
InChIInChI=1S/C44H32P2/c1-5-13-33-27(9-1)17-19-31-25-45-43(37-23-21-29-11-3-7-15-35(29)41(37)39(31)33)44-38-24-22-30-12-4-8-16-36(30)42(38)40-32(26-46-44)20-18-28-10-2-6-14-34(28)40/h1-24,43-46H,25-26H2/t43-,44-/m1/s1
InChIKeyDLEUIQQIDKFUDI-NDOUMJCMSA-N
MW622.69 g/mol
LogP12.80
Rot. Bonds1

About (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

(12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 143731061) has the molecular formula C44H32P2 and a molecular weight of 622.69 g/mol. Its IUPAC name is (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name(12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID143731061
Molecular FormulaC44H32P2
Molecular Weight622.69 g/mol
Exact Mass622.20
IUPAC Name(12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESc1ccc2c3c(ccc2c1)CP[C@@H]([C@@H]1PCc2ccc4ccccc4c2-c2c1ccc1ccccc21)c1ccc2ccccc2c1-3
InChIInChI=1S/C44H32P2/c1-5-13-33-27(9-1)17-19-31-25-45-43(37-23-21-29-11-3-7-15-35(29)41(37)39(31)33)44-38-24-22-30-12-4-8-16-36(30)42(38)40-32(26-46-44)20-18-28-10-2-6-14-34(28)40/h1-24,43-46H,25-26H2/t43-,44-/m1/s1
InChIKeyDLEUIQQIDKFUDI-NDOUMJCMSA-N
XLogP12.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.69
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene with MolForge

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Related Compounds

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CID 100921438
(12S)-12-benzyl-13-phenyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 101372626
13λ4-selenapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
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13,13-diiodo-13λ4-tellurapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 134881865
13-methyl-13-phenyl-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 18929281
13-phenyl-13-arsapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
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2-methyl-1-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-2,3-dihydrocyclopenta[a]naphthalene
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[1-(2-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 155147383
13-(disulfanyl)-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
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Frequently Asked Questions

What is the IUPAC name of (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 143731061) is (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is c1ccc2c3c(ccc2c1)CP[C@@H]([C@@H]1PCc2ccc4ccccc4c2-c2c1ccc1ccccc21)c1ccc2ccccc2c1-3.
What is the InChIKey of (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is DLEUIQQIDKFUDI-NDOUMJCMSA-N. The full InChI is InChI=1S/C44H32P2/c1-5-13-33-27(9-1)17-19-31-25-45-43(37-23-21-29-11-3-7-15-35(29)41(37)39(31)33)44-38-24-22-30-12-4-8-16-36(30)42(38)40-32(26-46-44)20-18-28-10-2-6-14-34(28)40/h1-24,43-46H,25-26H2/t43-,44-/m1/s1.
What are the key properties of (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
(12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 622.69 g/mol, XLogP of 12.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-[(12R)-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 143731061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).