13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

C74H58N4 — CID 168724276

IUPAC13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
SMILESCCc1ccc(N(c2cc(C)cc(C)c2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3cc(C)cc(C)c3)c3ccc(CC)cc3-c3ccccc3)c3c4ccccc4n5c23)c(-c2ccccc2)c1
InChIInChI=1S/C74H58N4/c1-7-49-27-31-65(59(41-49)51-19-11-9-12-20-51)75(53-37-45(3)35-46(4)38-53)67-33-29-55-61-43-70-62(44-69(61)77-63-25-17-15-23-57(63)71(67)73(55)77)56-30-34-68(72-58-24-16-18-26-64(58)78(70)74(56)72)76(54-39-47(5)36-48(6)40-54)66-32-28-50(8-2)42-60(66)52-21-13-10-14-22-52/h9-44H,7-8H2,1-6H3
InChIKeyCDDXAUBGZSFNMM-UHFFFAOYSA-N
MW1003.31 g/mol
LogP20.62
Rot. Bonds10

About 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (PubChem CID 168724276) has the molecular formula C74H58N4 and a molecular weight of 1003.31 g/mol. Its IUPAC name is 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

Molecular Properties

Compound Name13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
PubChem CID168724276
Molecular FormulaC74H58N4
Molecular Weight1003.31 g/mol
Exact Mass1002.47
IUPAC Name13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
SMILESCCc1ccc(N(c2cc(C)cc(C)c2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3cc(C)cc(C)c3)c3ccc(CC)cc3-c3ccccc3)c3c4ccccc4n5c23)c(-c2ccccc2)c1
InChIInChI=1S/C74H58N4/c1-7-49-27-31-65(59(41-49)51-19-11-9-12-20-51)75(53-37-45(3)35-46(4)38-53)67-33-29-55-61-43-70-62(44-69(61)77-63-25-17-15-23-57(63)71(67)73(55)77)56-30-34-68(72-58-24-16-18-26-64(58)78(70)74(56)72)76(54-39-47(5)36-48(6)40-54)66-32-28-50(8-2)42-60(66)52-21-13-10-14-22-52/h9-44H,7-8H2,1-6H3
InChIKeyCDDXAUBGZSFNMM-UHFFFAOYSA-N
XLogP20.62
TPSA15.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.31
LogP ≤ 520.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine with MolForge

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Related Compounds

13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 168724334
13-N,28-N-bis(2,4-diphenylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138506916
13-N,28-N-bis(5-ethyl-2-phenylphenyl)-13-N,28-N-bis(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 168724420
13-N,28-N-bis(4-tert-butylphenyl)-13-N,28-N-bis(4-methyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 168724174
13-N,28-N-bis(3-methylphenyl)-13-N,28-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 168724176
13-N,28-N-diphenyl-13-N,28-N-bis(2-phenyl-4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 168724345
13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(2,5-dimethylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(3,4-dimethylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-diphenyl-13-N,28-N-bis(2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-diphenyl-13-N,28-N-bis(3,4,5-trimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,13-N,28-N,28-N-tetrakis(3,4,5-trimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 167662670
13-N,28-N-bis(2-methylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138507053
13-N,28-N-bis(3-methyl-2-phenylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 168724380
13-N,28-N-diphenyl-13-N,28-N-bis(3-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138506964
13-N,28-N-bis(3-phenylphenyl)-13-N,28-N-bis(2-phenyl-4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 168724268
13-N,28-N-bis[2-(4-tert-butylphenyl)-4-propan-2-ylphenyl]-13-N,28-N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 168724251

Frequently Asked Questions

What is the IUPAC name of 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?
The IUPAC name of 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (CID 168724276) is 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.
What is the SMILES notation for 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?
The canonical SMILES for 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is CCc1ccc(N(c2cc(C)cc(C)c2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3cc(C)cc(C)c3)c3ccc(CC)cc3-c3ccccc3)c3c4ccccc4n5c23)c(-c2ccccc2)c1.
What is the InChIKey of 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?
The InChIKey is CDDXAUBGZSFNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H58N4/c1-7-49-27-31-65(59(41-49)51-19-11-9-12-20-51)75(53-37-45(3)35-46(4)38-53)67-33-29-55-61-43-70-62(44-69(61)77-63-25-17-15-23-57(63)71(67)73(55)77)56-30-34-68(72-58-24-16-18-26-64(58)78(70)74(56)72)76(54-39-47(5)36-48(6)40-54)66-32-28-50(8-2)42-60(66)52-21-13-10-14-22-52/h9-44H,7-8H2,1-6H3.
What are the key properties of 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?
13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine has a molecular weight of 1003.31 g/mol, XLogP of 20.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-N,28-N-bis(3,5-dimethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 168724276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).