N,N-dibenzyl-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-decaen-13-amine

C46H34NO2P — CID 44515234

IUPACN,N-dibenzyl-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-decaen-13-amine
SMILESc1ccc(CN(Cc2ccccc2)p2oc3c(-c4ccccc4)cc4ccccc4c3c3c(o2)c(-c2ccccc2)cc2ccccc23)cc1
InChIInChI=1S/C46H34NO2P/c1-5-17-33(18-6-1)31-47(32-34-19-7-2-8-20-34)50-48-45-41(35-21-9-3-10-22-35)29-37-25-13-15-27-39(37)43(45)44-40-28-16-14-26-38(40)30-42(46(44)49-50)36-23-11-4-12-24-36/h1-30H,31-32H2
InChIKeyUKWZKBLIKWUBQW-UHFFFAOYSA-N
MW663.76 g/mol
LogP13.27
Rot. Bonds7

About N,N-dibenzyl-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-decaen-13-amine

N,N-dibenzyl-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-decaen-13-amine (PubChem CID 44515234) has the molecular formula C46H34NO2P and a molecular weight of 663.76 g/mol. Its IUPAC name is N,N-dibenzyl-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-decaen-13-amine.

Molecular Properties

Compound NameN,N-dibenzyl-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-decaen-13-amine
PubChem CID44515234
Molecular FormulaC46H34NO2P
Molecular Weight663.76 g/mol
Exact Mass663.23
IUPAC NameN,N-dibenzyl-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-decaen-13-amine
SMILESc1ccc(CN(Cc2ccccc2)p2oc3c(-c4ccccc4)cc4ccccc4c3c3c(o2)c(-c2ccccc2)cc2ccccc23)cc1
InChIInChI=1S/C46H34NO2P/c1-5-17-33(18-6-1)31-47(32-34-19-7-2-8-20-34)50-48-45-41(35-21-9-3-10-22-35)29-37-25-13-15-27-39(37)43(45)44-40-28-16-14-26-38(40)30-42(46(44)49-50)36-23-11-4-12-24-36/h1-30H,31-32H2
InChIKeyUKWZKBLIKWUBQW-UHFFFAOYSA-N
XLogP13.27
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.76
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dibenzyl-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-decaen-13-amine with MolForge

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Related Compounds

N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]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-decaen-13-amine
CID 44515543
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
4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-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]-5-phenylphenyl]phenol
CID 171703299
CID 11958148
CID 11958148
13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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 91591422
10-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-decaene
CID 102258108
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
(2S)-1-benzyl-2-[2-[(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-decaen-13-yl)oxy]propan-2-yl]pyrrolidine
CID 101476580
5,7-diphenylbenzo[c]phenanthrene
CID 123858461
2-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-4,6-diphenylpyrimidine
CID 126764196
10-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-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 130188801
N,N,6-triphenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 176844324

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-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-decaen-13-amine?
The IUPAC name of N,N-dibenzyl-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-decaen-13-amine (CID 44515234) is N,N-dibenzyl-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-decaen-13-amine.
What is the SMILES notation for N,N-dibenzyl-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-decaen-13-amine?
The canonical SMILES for N,N-dibenzyl-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-decaen-13-amine is c1ccc(CN(Cc2ccccc2)p2oc3c(-c4ccccc4)cc4ccccc4c3c3c(o2)c(-c2ccccc2)cc2ccccc23)cc1.
What is the InChIKey of N,N-dibenzyl-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-decaen-13-amine?
The InChIKey is UKWZKBLIKWUBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34NO2P/c1-5-17-33(18-6-1)31-47(32-34-19-7-2-8-20-34)50-48-45-41(35-21-9-3-10-22-35)29-37-25-13-15-27-39(37)43(45)44-40-28-16-14-26-38(40)30-42(46(44)49-50)36-23-11-4-12-24-36/h1-30H,31-32H2.
What are the key properties of N,N-dibenzyl-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-decaen-13-amine?
N,N-dibenzyl-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-decaen-13-amine has a molecular weight of 663.76 g/mol, XLogP of 13.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-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-decaen-13-amine is sourced from PubChem (CID 44515234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).