N-benzhydryl-N-phenyl-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-amine

C39H28NO2P — CID 71746507

About N-benzhydryl-N-phenyl-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-amine

N-benzhydryl-N-phenyl-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-amine (PubChem CID 71746507) has the molecular formula C39H28NO2P and a molecular weight of 573.63 g/mol. Its IUPAC name is N-benzhydryl-N-phenyl-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-amine.

Molecular Properties

• Compound Name: N-benzhydryl-N-phenyl-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-amine
• PubChem CID: 71746507
• Molecular Formula: C39H28NO2P
• Molecular Weight: 573.63 g/mol
• Exact Mass: 573.19
• IUPAC Name: N-benzhydryl-N-phenyl-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-amine
• SMILES: c1ccc(C(c2ccccc2)N(c2ccccc2)p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1
• InChI: InChI=1S/C39H28NO2P/c1-4-16-30(17-5-1)39(31-18-6-2-7-19-31)40(32-20-8-3-9-21-32)43-41-35-26-24-28-14-10-12-22-33(28)37(35)38-34-23-13-11-15-29(34)25-27-36(38)42-43/h1-27,39H
• InChIKey: QXJQBYSMPKPBDV-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.63
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-phenyl-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-amine?

The IUPAC name of N-benzhydryl-N-phenyl-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-amine (CID 71746507) is N-benzhydryl-N-phenyl-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-amine.

What is the SMILES notation for N-benzhydryl-N-phenyl-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-amine?

The canonical SMILES for N-benzhydryl-N-phenyl-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-amine is c1ccc(C(c2ccccc2)N(c2ccccc2)p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1.

What is the InChIKey of N-benzhydryl-N-phenyl-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-amine?

The InChIKey is QXJQBYSMPKPBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28NO2P/c1-4-16-30(17-5-1)39(31-18-6-2-7-19-31)40(32-20-8-3-9-21-32)43-41-35-26-24-28-14-10-12-22-33(28)37(35)38-34-23-13-11-15-29(34)25-27-36(38)42-43/h1-27,39H.

What are the key properties of N-benzhydryl-N-phenyl-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-amine?

N-benzhydryl-N-phenyl-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-amine has a molecular weight of 573.63 g/mol, XLogP of 11.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzhydryl-N-phenyl-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-amine is sourced from PubChem (CID 71746507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).