13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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

C50H42P2 — CID 58555915

IUPAC13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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
SMILESC1=CC2CCC3CP(c4ccccc4P4Cc5ccc6ccccc6c5-c5c(ccc6ccccc56)C4)Cc4ccc5ccccc5c4C3C2C=C1
InChIInChI=1S/C50H42P2/c1-5-15-41-33(11-1)21-25-37-29-51(30-38-26-22-34-12-2-6-16-42(34)48(38)47(37)41)45-19-9-10-20-46(45)52-31-39-27-23-35-13-3-7-17-43(35)49(39)50-40(32-52)28-24-36-14-4-8-18-44(36)50/h1-23,25-27,36,40,44,50H,24,28-32H2
InChIKeyHLPYMRGTHZSTRR-UHFFFAOYSA-N
MW704.83 g/mol
LogP12.81
Rot. Bonds2

About 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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

13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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 (PubChem CID 58555915) has the molecular formula C50H42P2 and a molecular weight of 704.83 g/mol. Its IUPAC name is 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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.

Molecular Properties

Compound Name13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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
PubChem CID58555915
Molecular FormulaC50H42P2
Molecular Weight704.83 g/mol
Exact Mass704.28
IUPAC Name13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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
SMILESC1=CC2CCC3CP(c4ccccc4P4Cc5ccc6ccccc6c5-c5c(ccc6ccccc56)C4)Cc4ccc5ccccc5c4C3C2C=C1
InChIInChI=1S/C50H42P2/c1-5-15-41-33(11-1)21-25-37-29-51(30-38-26-22-34-12-2-6-16-42(34)48(38)47(37)41)45-19-9-10-20-46(45)52-31-39-27-23-35-13-3-7-17-43(35)49(39)50-40(32-52)28-24-36-14-4-8-18-44(36)50/h1-23,25-27,36,40,44,50H,24,28-32H2
InChIKeyHLPYMRGTHZSTRR-UHFFFAOYSA-N
XLogP12.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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?
The IUPAC name of 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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 58555915) is 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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.
What is the SMILES notation for 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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?
The canonical SMILES for 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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 is C1=CC2CCC3CP(c4ccccc4P4Cc5ccc6ccccc6c5-c5c(ccc6ccccc56)C4)Cc4ccc5ccccc5c4C3C2C=C1.
What is the InChIKey of 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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?
The InChIKey is HLPYMRGTHZSTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42P2/c1-5-15-41-33(11-1)21-25-37-29-51(30-38-26-22-34-12-2-6-16-42(34)48(38)47(37)41)45-19-9-10-20-46(45)52-31-39-27-23-35-13-3-7-17-43(35)49(39)50-40(32-52)28-24-36-14-4-8-18-44(36)50/h1-23,25-27,36,40,44,50H,24,28-32H2.
What are the key properties of 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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?
13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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 has a molecular weight of 704.83 g/mol, XLogP of 12.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),4,6,16,18,20,22-heptaen-13-yl)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 is sourced from PubChem (CID 58555915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).