25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine — IUPAC name, SMILES, InChIKey & properties

Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine

25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine (PubChem CID 160750879) has the molecular formula C140H104N8Si2 and a molecular weight of 1954.60 g/mol. Its IUPAC name is 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine.

Molecular Properties

Compound Name	25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
PubChem CID	160750879
Molecular Formula	C140H104N8Si2
Molecular Weight	1954.60 g/mol
Exact Mass	1952.79
IUPAC Name	25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
SMILES	Cc1cccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cccc4n6c32)c1.Cc1ccccc1N(c1ccccc1)c1cccc2c1c1cccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cccc2c3c(N(c4ccccc4)c4ccccc4[Si](C)(C)C)cccc3n5c21
InChI	InChI=1S/2C70H52N4Si/c1-45-23-17-32-50(43-45)71(48-28-13-7-14-29-48)57-39-21-41-59-63(57)53-35-19-37-55-65-62(47-26-11-6-12-27-47)70-66(61(46-24-9-5-10-25-46)69(65)73(59)67(53)55)56-38-20-36-54-64-58(40-22-42-60(64)74(70)68(54)56)72(49-30-15-8-16-31-49)51-33-18-34-52(44-51)75(2,3)4;1-45-25-17-18-38-54(45)71(48-30-13-7-14-31-48)56-40-23-42-58-63(56)50-34-21-36-52-65-62(47-28-11-6-12-29-47)70-66(61(46-26-9-5-10-27-46)69(65)73(58)67(50)52)53-37-22-35-51-64-57(41-24-43-59(64)74(70)68(51)53)72(49-32-15-8-16-33-49)55-39-19-20-44-60(55)75(2,3)4/h2*5-44H,1-4H3
InChIKey	RWUNLZVNGKRCIT-UHFFFAOYSA-N
XLogP	38.23
TPSA	30.60 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	18
Heavy Atoms	150
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1954.60
LogP ≤ 5	38.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The IUPAC name of 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine (CID 160750879) is 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine.

What is the SMILES notation for 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The canonical SMILES for 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine is Cc1cccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cccc4n6c32)c1.Cc1ccccc1N(c1ccccc1)c1cccc2c1c1cccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cccc2c3c(N(c4ccccc4)c4ccccc4[Si](C)(C)C)cccc3n5c21.

What is the InChIKey of 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The InChIKey is RWUNLZVNGKRCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H52N4Si/c1-45-23-17-32-50(43-45)71(48-28-13-7-14-29-48)57-39-21-41-59-63(57)53-35-19-37-55-65-62(47-26-11-6-12-27-47)70-66(61(46-24-9-5-10-25-46)69(65)73(59)67(53)55)56-38-20-36-54-64-58(40-22-42-60(64)74(70)68(54)56)72(49-30-15-8-16-31-49)51-33-18-34-52(44-51)75(2,3)4;1-45-25-17-18-38-54(45)71(48-30-13-7-14-31-48)56-40-23-42-58-63(56)50-34-21-36-52-65-62(47-28-11-6-12-29-47)70-66(61(46-26-9-5-10-27-46)69(65)73(58)67(50)52)53-37-22-35-51-64-57(41-24-43-59(64)74(70)68(51)53)72(49-32-15-8-16-33-49)55-39-19-20-44-60(55)75(2,3)4/h2*5-44H,1-4H3.

What are the key properties of 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

Where does this data come from?

All data for 25-N-(2-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(2-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;25-N-(3-methylphenyl)-10-N,25-N,3,18-tetraphenyl-10-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine is sourced from PubChem (CID 160750879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).