14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine

C58H42N4 — CID 167347248

IUPAC14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c4cc5c(cc4n4c3c2Cc2ccccc2-4)c2ccc(N(c3ccccc3)c3cccc(C)c3)c3c2n5-c2ccccc2C3)c1
InChIInChI=1S/C58H42N4/c1-37-15-13-23-43(31-37)59(41-19-5-3-6-20-41)53-29-27-45-47-35-56-48(36-55(47)61-51-25-11-9-17-39(51)33-49(53)57(45)61)46-28-30-54(50-34-40-18-10-12-26-52(40)62(56)58(46)50)60(42-21-7-4-8-22-42)44-24-14-16-38(2)32-44/h3-32,35-36H,33-34H2,1-2H3
InChIKeyJMLRAQOKLVGKMW-UHFFFAOYSA-N
MW795.00 g/mol
LogP15.25
Rot. Bonds6

About 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine

14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine (PubChem CID 167347248) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine.

Molecular Properties

Compound Name14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine
PubChem CID167347248
Molecular FormulaC58H42N4
Molecular Weight795.00 g/mol
Exact Mass794.34
IUPAC Name14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3c4cc5c(cc4n4c3c2Cc2ccccc2-4)c2ccc(N(c3ccccc3)c3cccc(C)c3)c3c2n5-c2ccccc2C3)c1
InChIInChI=1S/C58H42N4/c1-37-15-13-23-43(31-37)59(41-19-5-3-6-20-41)53-29-27-45-47-35-56-48(36-55(47)61-51-25-11-9-17-39(51)33-49(53)57(45)61)46-28-30-54(50-34-40-18-10-12-26-52(40)62(56)58(46)50)60(42-21-7-4-8-22-42)44-24-14-16-38(2)32-44/h3-32,35-36H,33-34H2,1-2H3
InChIKeyJMLRAQOKLVGKMW-UHFFFAOYSA-N
XLogP15.25
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine?
The IUPAC name of 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine (CID 167347248) is 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine.
What is the SMILES notation for 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine?
The canonical SMILES for 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine is Cc1cccc(N(c2ccccc2)c2ccc3c4cc5c(cc4n4c3c2Cc2ccccc2-4)c2ccc(N(c3ccccc3)c3cccc(C)c3)c3c2n5-c2ccccc2C3)c1.
What is the InChIKey of 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine?
The InChIKey is JMLRAQOKLVGKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-37-15-13-23-43(31-37)59(41-19-5-3-6-20-41)53-29-27-45-47-35-56-48(36-55(47)61-51-25-11-9-17-39(51)33-49(53)57(45)61)46-28-30-54(50-34-40-18-10-12-26-52(40)62(56)58(46)50)60(42-21-7-4-8-22-42)44-24-14-16-38(2)32-44/h3-32,35-36H,33-34H2,1-2H3.
What are the key properties of 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine?
14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine has a molecular weight of 795.00 g/mol, XLogP of 15.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-N,30-N-bis(3-methylphenyl)-14-N,30-N-diphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.06,11.022,27.029,33.017,34]tetratriaconta-1(33),2,4(18),6,8,10,13,15,17(34),19,22,24,26,29,31-pentadecaene-14,30-diamine is sourced from PubChem (CID 167347248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).