1-(10,16-dimethyl-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)pyrrolidine

C26H24NO2P — CID 102418630

IUPAC1-(10,16-dimethyl-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)pyrrolidine
SMILESCc1cc2ccccc2c2c1op(N1CCCC1)oc1c(C)cc3ccccc3c12
InChIInChI=1S/C26H24NO2P/c1-17-15-19-9-3-5-11-21(19)23-24-22-12-6-4-10-20(22)16-18(2)26(24)29-30(28-25(17)23)27-13-7-8-14-27/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3
InChIKeyBBIAWPHPEYHDAP-UHFFFAOYSA-N
MW413.46 g/mol
LogP7.95
Rot. Bonds1

About 1-(10,16-dimethyl-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)pyrrolidine

1-(10,16-dimethyl-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)pyrrolidine (PubChem CID 102418630) has the molecular formula C26H24NO2P and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-(10,16-dimethyl-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)pyrrolidine.

Molecular Properties

Compound Name1-(10,16-dimethyl-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)pyrrolidine
PubChem CID102418630
Molecular FormulaC26H24NO2P
Molecular Weight413.46 g/mol
Exact Mass413.15
IUPAC Name1-(10,16-dimethyl-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)pyrrolidine
SMILESCc1cc2ccccc2c2c1op(N1CCCC1)oc1c(C)cc3ccccc3c12
InChIInChI=1S/C26H24NO2P/c1-17-15-19-9-3-5-11-21(19)23-24-22-12-6-4-10-20(22)16-18(2)26(24)29-30(28-25(17)23)27-13-7-8-14-27/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3
InChIKeyBBIAWPHPEYHDAP-UHFFFAOYSA-N
XLogP7.95
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(10,16-dimethyl-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)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10,13,16-trimethyl-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-decaene
CID 23592736
10,14-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 169260861
13-cyclopenta-2,4-dien-1-yl-10,16-dimethyl-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-decaene
CID 22981763
10,16-dimethyl-N,N-bis[(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 11342076
10,16-dimethyl-N-(naphthalen-1-ylmethyl)-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 11306586
1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-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-10-yl]methyl]piperidine
CID 143706190
16-(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)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 122374015
1-(4-methylnaphthalen-2-yl)pyrrolidine
CID 102172515
13-methyl-10,16-diphenyl-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-decaene
CID 59245357
11-(10,16-dibromo-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)benzo[b][1]benzazepine
CID 164887332
1,3-bis(1,3-dimethylnaphthalen-2-yl)imidazolidine
CID 68962519
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091

Frequently Asked Questions

What is the IUPAC name of 1-(10,16-dimethyl-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)pyrrolidine?
The IUPAC name of 1-(10,16-dimethyl-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)pyrrolidine (CID 102418630) is 1-(10,16-dimethyl-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)pyrrolidine.
What is the SMILES notation for 1-(10,16-dimethyl-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)pyrrolidine?
The canonical SMILES for 1-(10,16-dimethyl-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)pyrrolidine is Cc1cc2ccccc2c2c1op(N1CCCC1)oc1c(C)cc3ccccc3c12.
What is the InChIKey of 1-(10,16-dimethyl-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)pyrrolidine?
The InChIKey is BBIAWPHPEYHDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NO2P/c1-17-15-19-9-3-5-11-21(19)23-24-22-12-6-4-10-20(22)16-18(2)26(24)29-30(28-25(17)23)27-13-7-8-14-27/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3.
What are the key properties of 1-(10,16-dimethyl-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)pyrrolidine?
1-(10,16-dimethyl-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)pyrrolidine has a molecular weight of 413.46 g/mol, XLogP of 7.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,16-dimethyl-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)pyrrolidine is sourced from PubChem (CID 102418630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).