N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine

C22H18NO2P — CID 11279832

IUPACN,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine
SMILESCN(C)p1oc2cccc3cccc(c4cccc5cccc(o1)c54)c32
InChIInChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-5-9-15-7-3-11-17(21(15)19)18-12-4-8-16-10-6-14-20(25-26)22(16)18/h3-14H,1-2H3
InChIKeyQFAVVSBBFLZJFH-UHFFFAOYSA-N
MW359.37 g/mol
LogP6.79
Rot. Bonds1

About N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine

N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine (PubChem CID 11279832) has the molecular formula C22H18NO2P and a molecular weight of 359.37 g/mol. Its IUPAC name is N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine.

Molecular Properties

Compound NameN,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine
PubChem CID11279832
Molecular FormulaC22H18NO2P
Molecular Weight359.37 g/mol
Exact Mass359.11
IUPAC NameN,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine
SMILESCN(C)p1oc2cccc3cccc(c4cccc5cccc(o1)c54)c32
InChIInChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-5-9-15-7-3-11-17(21(15)19)18-12-4-8-16-10-6-14-20(25-26)22(16)18/h3-14H,1-2H3
InChIKeyQFAVVSBBFLZJFH-UHFFFAOYSA-N
XLogP6.79
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.37
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine with MolForge

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Related Compounds

5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine
CID 135010391
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
butane;perylene
CID 159762170
N,N-bis[(1S)-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 11731247
13-(dimethylamino)-16-methoxy-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-ol
CID 143746598
benzo[e]pyrene
CID 9128
N-[(1R)-1-phenylethyl]-N-[(1S)-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;sulfane
CID 160858806
13-methyl-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 11457340
furan-2,5-dione;perylene
CID 159629653
perylene diisocyanate
CID 21242736
1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene
CID 175456398
N-bis(2-methoxyphenyl)phosphanyl-N-methyl-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 118056691

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine?
The IUPAC name of N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine (CID 11279832) is N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine.
What is the SMILES notation for N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine?
The canonical SMILES for N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine is CN(C)p1oc2cccc3cccc(c4cccc5cccc(o1)c54)c32.
What is the InChIKey of N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine?
The InChIKey is QFAVVSBBFLZJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-5-9-15-7-3-11-17(21(15)19)18-12-4-8-16-10-6-14-20(25-26)22(16)18/h3-14H,1-2H3.
What are the key properties of N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine?
N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine has a molecular weight of 359.37 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine is sourced from PubChem (CID 11279832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).