N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine

C51H40N2O2 — CID 139572987

IUPACN-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine
SMILESCOc1cccc(CCC(c2ccccc2)c2ccc3c4cc5ccc(N(c6ccccc6)c6cccc(OC)c6)cc5c5c6ccccc6n(c3c2)c45)c1
InChIInChI=1S/C51H40N2O2/c1-54-41-19-11-13-34(29-41)23-27-43(35-14-5-3-6-15-35)37-25-28-44-47-30-36-24-26-40(52(38-16-7-4-8-17-38)39-18-12-20-42(32-39)55-2)33-46(36)50-45-21-9-10-22-48(45)53(51(47)50)49(44)31-37/h3-22,24-26,28-33,43H,23,27H2,1-2H3
InChIKeyZHFVEADLYWXPIM-UHFFFAOYSA-N
MW712.89 g/mol
LogP13.24
Rot. Bonds10

About N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine

N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine (PubChem CID 139572987) has the molecular formula C51H40N2O2 and a molecular weight of 712.89 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine
PubChem CID139572987
Molecular FormulaC51H40N2O2
Molecular Weight712.89 g/mol
Exact Mass712.31
IUPAC NameN-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine
SMILESCOc1cccc(CCC(c2ccccc2)c2ccc3c4cc5ccc(N(c6ccccc6)c6cccc(OC)c6)cc5c5c6ccccc6n(c3c2)c45)c1
InChIInChI=1S/C51H40N2O2/c1-54-41-19-11-13-34(29-41)23-27-43(35-14-5-3-6-15-35)37-25-28-44-47-30-36-24-26-40(52(38-16-7-4-8-17-38)39-18-12-20-42(32-39)55-2)33-46(36)50-45-21-9-10-22-48(45)53(51(47)50)49(44)31-37/h3-22,24-26,28-33,43H,23,27H2,1-2H3
InChIKeyZHFVEADLYWXPIM-UHFFFAOYSA-N
XLogP13.24
TPSA26.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.89
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine with MolForge

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Related Compounds

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6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine
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4-(N-[5-(4-cyano-N-(4-cyanophenyl)anilino)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-yl]-4-isocyanoanilino)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine (CID 139572987) is N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine is COc1cccc(CCC(c2ccccc2)c2ccc3c4cc5ccc(N(c6ccccc6)c6cccc(OC)c6)cc5c5c6ccccc6n(c3c2)c45)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine?
The InChIKey is ZHFVEADLYWXPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2O2/c1-54-41-19-11-13-34(29-41)23-27-43(35-14-5-3-6-15-35)37-25-28-44-47-30-36-24-26-40(52(38-16-7-4-8-17-38)39-18-12-20-42(32-39)55-2)33-46(36)50-45-21-9-10-22-48(45)53(51(47)50)49(44)31-37/h3-22,24-26,28-33,43H,23,27H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine?
N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine has a molecular weight of 712.89 g/mol, XLogP of 13.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-[3-(3-methoxyphenyl)-1-phenylpropyl]-N-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-18-amine is sourced from PubChem (CID 139572987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).