N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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

C152H124N4O8P4 — CID 158215453

IUPACN,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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
SMILESCC(c1ccc2ccccc2c1)N(C(C)c1ccc2ccccc2c1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.CC(c1cccc2ccccc12)N(C(C)c1cccc2ccccc12)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.CC(c1ccccc1)N(C(C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.CC(c1ccccc1)N(C(C)c1ccccc1)p1oc2ccccc2c2ccccc2o1
InChIInChI=1S/2C44H34NO2P.C36H30NO2P.C28H26NO2P/c1-29(35-23-11-17-31-13-3-7-19-37(31)35)45(30(2)36-24-12-18-32-14-4-8-20-38(32)36)48-46-41-27-25-33-15-5-9-21-39(33)43(41)44-40-22-10-6-16-34(40)26-28-42(44)47-48;1-29(35-21-19-31-11-3-5-15-37(31)27-35)45(30(2)36-22-20-32-12-4-6-16-38(32)28-36)48-46-41-25-23-33-13-7-9-17-39(33)43(41)44-40-18-10-8-14-34(40)24-26-42(44)47-48;1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40;1-21(23-13-5-3-6-14-23)29(22(2)24-15-7-4-8-16-24)32-30-27-19-11-9-17-25(27)26-18-10-12-20-28(26)31-32/h2*3-30H,1-2H3;3-26H,1-2H3;3-22H,1-2H3
InChIKeyGCOYAZLQQIFNJU-UHFFFAOYSA-N
MW2258.58 g/mol
LogP46.53
Rot. Bonds20

About N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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

N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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 (PubChem CID 158215453) has the molecular formula C152H124N4O8P4 and a molecular weight of 2258.58 g/mol. Its IUPAC name is N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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.

Molecular Properties

Compound NameN,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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
PubChem CID158215453
Molecular FormulaC152H124N4O8P4
Molecular Weight2258.58 g/mol
Exact Mass2256.84
IUPAC NameN,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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
SMILESCC(c1ccc2ccccc2c1)N(C(C)c1ccc2ccccc2c1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.CC(c1cccc2ccccc12)N(C(C)c1cccc2ccccc12)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.CC(c1ccccc1)N(C(C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.CC(c1ccccc1)N(C(C)c1ccccc1)p1oc2ccccc2c2ccccc2o1
InChIInChI=1S/2C44H34NO2P.C36H30NO2P.C28H26NO2P/c1-29(35-23-11-17-31-13-3-7-19-37(31)35)45(30(2)36-24-12-18-32-14-4-8-20-38(32)36)48-46-41-27-25-33-15-5-9-21-39(33)43(41)44-40-22-10-6-16-34(40)26-28-42(44)47-48;1-29(35-21-19-31-11-3-5-15-37(31)27-35)45(30(2)36-22-20-32-12-4-6-16-38(32)28-36)48-46-41-25-23-33-13-7-9-17-39(33)43(41)44-40-18-10-8-14-34(40)24-26-42(44)47-48;1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40;1-21(23-13-5-3-6-14-23)29(22(2)24-15-7-4-8-16-24)32-30-27-19-11-9-17-25(27)26-18-10-12-20-28(26)31-32/h2*3-30H,1-2H3;3-26H,1-2H3;3-22H,1-2H3
InChIKeyGCOYAZLQQIFNJU-UHFFFAOYSA-N
XLogP46.53
TPSA118.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002258.58
LogP ≤ 546.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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 with MolForge

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Related Compounds

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
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
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;copper(1+);trifluoromethanesulfonate
CID 71657966
N-[(Z,2S)-hex-4-en-2-yl]-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
CID 143241818
N-(cyclododecahexaenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-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 143137489
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
N-dodecyl-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 101409403
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
10,16-diiodo-N,N-bis(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 163338284
N-methyl-N-[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
CID 134867022
10-[diethyl(methyl)-λ4-sulfanyl]-N-methyl-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
CID 166929464
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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?
The IUPAC name of N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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 158215453) is N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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.
What is the SMILES notation for N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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?
The canonical SMILES for N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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 is CC(c1ccc2ccccc2c1)N(C(C)c1ccc2ccccc2c1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.CC(c1cccc2ccccc12)N(C(C)c1cccc2ccccc12)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.CC(c1ccccc1)N(C(C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.CC(c1ccccc1)N(C(C)c1ccccc1)p1oc2ccccc2c2ccccc2o1.
What is the InChIKey of N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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?
The InChIKey is GCOYAZLQQIFNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H34NO2P.C36H30NO2P.C28H26NO2P/c1-29(35-23-11-17-31-13-3-7-19-37(31)35)45(30(2)36-24-12-18-32-14-4-8-20-38(32)36)48-46-41-27-25-33-15-5-9-21-39(33)43(41)44-40-22-10-6-16-34(40)26-28-42(44)47-48;1-29(35-21-19-31-11-3-5-15-37(31)27-35)45(30(2)36-22-20-32-12-4-6-16-38(32)28-36)48-46-41-25-23-33-13-7-9-17-39(33)43(41)44-40-18-10-8-14-34(40)24-26-42(44)47-48;1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40;1-21(23-13-5-3-6-14-23)29(22(2)24-15-7-4-8-16-24)32-30-27-19-11-9-17-25(27)26-18-10-12-20-28(26)31-32/h2*3-30H,1-2H3;3-26H,1-2H3;3-22H,1-2H3.
What are the key properties of N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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?
N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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 has a molecular weight of 2258.58 g/mol, XLogP of 46.53, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-naphthalen-1-ylethyl)-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-bis(1-naphthalen-2-ylethyl)-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-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(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 is sourced from PubChem (CID 158215453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).