(2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine

C36H28NO2P — CID 11478205

IUPAC(2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine
SMILESc1ccc([C@H]2CC[C@H](c3ccccc3)N2p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C36H28NO2P/c1-3-13-27(14-4-1)31-21-22-32(28-15-5-2-6-16-28)37(31)40-38-33-23-19-25-11-7-9-17-29(25)35(33)36-30-18-10-8-12-26(30)20-24-34(36)39-40/h1-20,23-24,31-32H,21-22H2/t31-,32-/m1/s1
InChIKeySQEYSQAZYNQDSV-ROJLCIKYSA-N
MW537.60 g/mol
LogP10.81
Rot. Bonds3

About (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine

(2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine (PubChem CID 11478205) has the molecular formula C36H28NO2P and a molecular weight of 537.60 g/mol. Its IUPAC name is (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine
PubChem CID11478205
Molecular FormulaC36H28NO2P
Molecular Weight537.60 g/mol
Exact Mass537.19
IUPAC Name(2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine
SMILESc1ccc([C@H]2CC[C@H](c3ccccc3)N2p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C36H28NO2P/c1-3-13-27(14-4-1)31-21-22-32(28-15-5-2-6-16-28)37(31)40-38-33-23-19-25-11-7-9-17-29(25)35(33)36-30-18-10-8-12-26(30)20-24-34(36)39-40/h1-20,23-24,31-32H,21-22H2/t31-,32-/m1/s1
InChIKeySQEYSQAZYNQDSV-ROJLCIKYSA-N
XLogP10.81
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.60
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine with MolForge

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Related Compounds

(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine
CID 10893715
(11bS)-N,N-Bis[(S)-(+)-1-(2-methoxyphenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11296345
N-Benzyl-N-methyldinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-amine
CID 11453323
N,N-Bis((R)-1-phenylethyl)dinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-amine
CID 10886035
(11bR)-N,N-Bis((R)-(-)-1-(2-methoxyphenyl)ethyl)dinaphtho(2,1-d:1',2'-f)(1,3,2) dioxaphosphepin-4-amine
CID 11387829
N,N,2,6-Tetramethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11452018
(S)-2-(1-Naphthyl)-8-diphenylphosphino-1-[(R)-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl]-1,2-dihydroquinoline toluene adduct, min. 97% (Ra,Sc)-(1-Nph)-
CID 89405071
1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)piperidine
CID 11429465
(R)-4-Phenoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10525496
N,N-Bis((S)-1-phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11731247
11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 12128642
N-[(1S)-1-phenylethyl]-N-[(1R)-1-phenylethyl]-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 21944153

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine?
The IUPAC name of (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine (CID 11478205) is (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine.
What is the SMILES notation for (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine?
The canonical SMILES for (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine is c1ccc([C@H]2CC[C@H](c3ccccc3)N2p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1.
What is the InChIKey of (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine?
The InChIKey is SQEYSQAZYNQDSV-ROJLCIKYSA-N. The full InChI is InChI=1S/C36H28NO2P/c1-3-13-27(14-4-1)31-21-22-32(28-15-5-2-6-16-28)37(31)40-38-33-23-19-25-11-7-9-17-29(25)35(33)36-30-18-10-8-12-26(30)20-24-34(36)39-40/h1-20,23-24,31-32H,21-22H2/t31-,32-/m1/s1.
What are the key properties of (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine?
(2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine has a molecular weight of 537.60 g/mol, XLogP of 10.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-(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-yl)-2,5-diphenylpyrrolidine is sourced from PubChem (CID 11478205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).