13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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

C65H46O2P2 — CID 20606138

About 13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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 20606138) has the molecular formula C65H46O2P2 and a molecular weight of 921.03 g/mol. Its IUPAC name is 13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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: 13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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: 20606138
• Molecular Formula: C65H46O2P2
• Molecular Weight: 921.03 g/mol
• Exact Mass: 920.30
• IUPAC Name: 13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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
• SMILES: Cc1cc2ccccc2c(-c2c(OP3Cc4ccc5ccccc5c4-c4c3ccc3ccccc43)c(C)cc3ccccc23)c1OP1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1
• InChI: InChI=1S/C65H46O2P2/c1-40-35-46-19-7-13-25-55(46)62(64(40)66-68-37-48-30-27-42-15-3-9-21-51(42)58(48)59-49(38-68)31-28-43-16-4-10-22-52(43)59)63-56-26-14-8-20-47(56)36-41(2)65(63)67-69-39-50-32-29-44-17-5-11-23-53(44)60(50)61-54-24-12-6-18-45(54)33-34-57(61)69/h3-36H,37-39H2,1-2H3
• InChIKey: USKOIUYMLOWJKF-UHFFFAOYSA-N
• XLogP: 18.33
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.03
LogP ≤ 5	18.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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 20606138) is 13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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 Cc1cc2ccccc2c(-c2c(OP3Cc4ccc5ccccc5c4-c4c3ccc3ccccc43)c(C)cc3ccccc23)c1OP1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1.

What is the InChIKey of 13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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 USKOIUYMLOWJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46O2P2/c1-40-35-46-19-7-13-25-55(46)62(64(40)66-68-37-48-30-27-42-15-3-9-21-51(42)58(48)59-49(38-68)31-28-43-16-4-10-22-52(43)59)63-56-26-14-8-20-47(56)36-41(2)65(63)67-69-39-50-32-29-44-17-5-11-23-53(44)60(50)61-54-24-12-6-18-45(54)33-34-57(61)69/h3-36H,37-39H2,1-2H3.

What are the key properties of 13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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 921.03 g/mol, XLogP of 18.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[3-methyl-1-[3-methyl-2-(12-phosphapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-yloxy)naphthalen-1-yl]naphthalen-2-yl]oxy-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 20606138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).