[1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane

C70H50O5P2 — CID 102373630

About [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane

[1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane (PubChem CID 102373630) has the molecular formula C70H50O5P2 and a molecular weight of 1033.11 g/mol. Its IUPAC name is [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane.

Molecular Properties

• Compound Name: [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane
• PubChem CID: 102373630
• Molecular Formula: C70H50O5P2
• Molecular Weight: 1033.11 g/mol
• Exact Mass: 1032.31
• IUPAC Name: [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane
• SMILES: C=Cc1cccc(COc2cccc(P(c3cccc(OCc4cccc(C=C)c4)c3)c3ccc4ccccc4c3-c3c(Op4oc5ccc6ccccc6c5c5c(ccc6ccccc65)o4)ccc4ccccc34)c2)c1
• InChI: InChI=1S/C70H50O5P2/c1-3-47-17-13-19-49(41-47)45-71-55-25-15-27-57(43-55)76(58-28-16-26-56(44-58)72-46-50-20-14-18-48(4-2)42-50)66-40-36-54-24-8-12-32-62(54)70(66)69-61-31-11-7-23-53(61)35-39-65(69)75-77-73-63-37-33-51-21-5-9-29-59(51)67(63)68-60-30-10-6-22-52(60)34-38-64(68)74-77/h3-44H,1-2,45-46H2
• InChIKey: RDJCNKVZSXWBDJ-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 53.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.11
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane?

The IUPAC name of [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane (CID 102373630) is [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane.

What is the SMILES notation for [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane?

The canonical SMILES for [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane is C=Cc1cccc(COc2cccc(P(c3cccc(OCc4cccc(C=C)c4)c3)c3ccc4ccccc4c3-c3c(Op4oc5ccc6ccccc6c5c5c(ccc6ccccc65)o4)ccc4ccccc34)c2)c1.

What is the InChIKey of [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane?

The InChIKey is RDJCNKVZSXWBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50O5P2/c1-3-47-17-13-19-49(41-47)45-71-55-25-15-27-57(43-55)76(58-28-16-26-56(44-58)72-46-50-20-14-18-48(4-2)42-50)66-40-36-54-24-8-12-32-62(54)70(66)69-61-31-11-7-23-53(61)35-39-65(69)75-77-73-63-37-33-51-21-5-9-29-59(51)67(63)68-60-30-10-6-22-52(60)34-38-64(68)74-77/h3-44H,1-2,45-46H2.

What are the key properties of [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane?

[1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane has a molecular weight of 1033.11 g/mol, XLogP of 18.61, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(12,14-dioxa-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-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-bis[3-[(3-ethenylphenyl)methoxy]phenyl]phosphane is sourced from PubChem (CID 102373630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).