6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine

C48H41N3 — CID 146375884

IUPAC6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
SMILESCc1ccc(N(c2cc(C)ccc2C)c2cccc3c2c2cccc4c5c(N(c6ccc(C)cc6)c6cc(C)ccc6C)cccc5n3c24)cc1
InChIInChI=1S/C48H41N3/c1-30-18-24-36(25-19-30)49(44-28-32(3)16-22-34(44)5)40-12-8-14-42-46(40)38-10-7-11-39-47-41(13-9-15-43(47)51(42)48(38)39)50(37-26-20-31(2)21-27-37)45-29-33(4)17-23-35(45)6/h7-29H,1-6H3
InChIKeyWIWVYJAIFDMNML-UHFFFAOYSA-N
MW659.88 g/mol
LogP13.63
Rot. Bonds6

About 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine

6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine (PubChem CID 146375884) has the molecular formula C48H41N3 and a molecular weight of 659.88 g/mol. Its IUPAC name is 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine.

Molecular Properties

Compound Name6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
PubChem CID146375884
Molecular FormulaC48H41N3
Molecular Weight659.88 g/mol
Exact Mass659.33
IUPAC Name6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
SMILESCc1ccc(N(c2cc(C)ccc2C)c2cccc3c2c2cccc4c5c(N(c6ccc(C)cc6)c6cc(C)ccc6C)cccc5n3c24)cc1
InChIInChI=1S/C48H41N3/c1-30-18-24-36(25-19-30)49(44-28-32(3)16-22-34(44)5)40-12-8-14-42-46(40)38-10-7-11-39-47-41(13-9-15-43(47)51(42)48(38)39)50(37-26-20-31(2)21-27-37)45-29-33(4)17-23-35(45)6/h7-29H,1-6H3
InChIKeyWIWVYJAIFDMNML-UHFFFAOYSA-N
XLogP13.63
TPSA10.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.88
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine with MolForge

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Related Compounds

6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 157465674
10-N,25-N-bis(2,4-dimethylphenyl)-10-N,25-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,25-N-bis(2,5-dimethylphenyl)-10-N,25-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine;10-N,10-N,25-N,25-N-tetrakis(4-cyclohexylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 158302574
10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 146376358
10-N,25-N-bis(2,5-dimethylphenyl)-10-N,25-N-bis(4-methylphenyl)-3,18-diphenyl-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;10-N,25-N-bis(2,4-dimethylphenyl)-10-N,25-N,3,18-tetraphenyl-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;10-N,25-N-bis(2,5-dimethylphenyl)-10-N,25-N,3,18-tetraphenyl-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;10-N,25-N-bis(3,4-dimethylphenyl)-10-N,25-N,3,18-tetraphenyl-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;10-N,25-N-bis(3,5-dimethylphenyl)-10-N,25-N,3,18-tetraphenyl-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;10-N,25-N,3,18-tetraphenyl-10-N,25-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(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 158786501
28-N-(2,5-dimethylphenyl)-13-N,28-N-bis(4-methylphenyl)-13-N-(2,3,5-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 166572035
10-N,25-N-diphenyl-10-N,25-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138745149
6-N-(4-tert-butylphenyl)-14-N-[4-[2-methyl-1-[2-methyl-5-(4-methyl-N-[14-(4-methyl-N-(4-methylphenyl)anilino)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]anilino)phenyl]propan-2-yl]phenyl]-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 149206250
10-N,25-N-di(dibenzofuran-4-yl)-25-N-(4-methylphenyl)-10-N-(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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 158029374
6-N,14-N-diphenyl-6-N,14-N-bis(2-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-diphenyl-6-N,14-N-bis(3-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-diphenyl-6-N,14-N-bis(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(2-methyl-5-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 159926319
10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138746117
4-(N-[25-(4-methyl-N-(4-silylphenyl)anilino)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaen-10-yl]-4-trimethylsilylanilino)benzonitrile
CID 163630860
6-N,14-N-bis(4-tert-butylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 146376272

Frequently Asked Questions

What is the IUPAC name of 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?
The IUPAC name of 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine (CID 146375884) is 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine.
What is the SMILES notation for 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?
The canonical SMILES for 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine is Cc1ccc(N(c2cc(C)ccc2C)c2cccc3c2c2cccc4c5c(N(c6ccc(C)cc6)c6cc(C)ccc6C)cccc5n3c24)cc1.
What is the InChIKey of 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?
The InChIKey is WIWVYJAIFDMNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N3/c1-30-18-24-36(25-19-30)49(44-28-32(3)16-22-34(44)5)40-12-8-14-42-46(40)38-10-7-11-39-47-41(13-9-15-43(47)51(42)48(38)39)50(37-26-20-31(2)21-27-37)45-29-33(4)17-23-35(45)6/h7-29H,1-6H3.
What are the key properties of 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine?
6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine has a molecular weight of 659.88 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(4-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine is sourced from PubChem (CID 146375884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).