5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

C53H38N4 — CID 146481876

IUPAC5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
SMILESCC1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32
InChIInChI=1S/C53H38N4/c1-53(2)45-32-36(37-29-38(47-21-11-13-27-54-47)31-39(30-37)48-22-12-14-28-55-48)24-25-49(45)57-50-26-23-35-15-9-10-20-43(35)51(50)44-33-42(34-46(53)52(44)57)56(40-16-5-3-6-17-40)41-18-7-4-8-19-41/h3-34H,1-2H3
InChIKeyPIKPXAYOIDSEIE-UHFFFAOYSA-N
MW730.92 g/mol
LogP13.84
Rot. Bonds6

About 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (PubChem CID 146481876) has the molecular formula C53H38N4 and a molecular weight of 730.92 g/mol. Its IUPAC name is 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.

Molecular Properties

Compound Name5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
PubChem CID146481876
Molecular FormulaC53H38N4
Molecular Weight730.92 g/mol
Exact Mass730.31
IUPAC Name5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
SMILESCC1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32
InChIInChI=1S/C53H38N4/c1-53(2)45-32-36(37-29-38(47-21-11-13-27-54-47)31-39(30-37)48-22-12-14-28-55-48)24-25-49(45)57-50-26-23-35-15-9-10-20-43(35)51(50)44-33-42(34-46(53)52(44)57)56(40-16-5-3-6-17-40)41-18-7-4-8-19-41/h3-34H,1-2H3
InChIKeyPIKPXAYOIDSEIE-UHFFFAOYSA-N
XLogP13.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?
The IUPAC name of 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (CID 146481876) is 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.
What is the SMILES notation for 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?
The canonical SMILES for 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is CC1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.
What is the InChIKey of 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?
The InChIKey is PIKPXAYOIDSEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4/c1-53(2)45-32-36(37-29-38(47-21-11-13-27-54-47)31-39(30-37)48-22-12-14-28-55-48)24-25-49(45)57-50-26-23-35-15-9-10-20-43(35)51(50)44-33-42(34-46(53)52(44)57)56(40-16-5-3-6-17-40)41-18-7-4-8-19-41/h3-34H,1-2H3.
What are the key properties of 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?
5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine has a molecular weight of 730.92 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is sourced from PubChem (CID 146481876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).