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

C50H45N3 — CID 146376272

IUPAC6-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
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)cccc5n3c24)cc1
InChIInChI=1S/C50H45N3/c1-49(2,3)34-26-30-38(31-27-34)51(36-16-9-7-10-17-36)42-22-14-24-44-46(42)40-20-13-21-41-47-43(23-15-25-45(47)53(44)48(40)41)52(37-18-11-8-12-19-37)39-32-28-35(29-33-39)50(4,5)6/h7-33H,1-6H3
InChIKeyMEOOHSSWNAXXPD-UHFFFAOYSA-N
MW687.93 g/mol
LogP14.37
Rot. Bonds6

About 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

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 (PubChem CID 146376272) has the molecular formula C50H45N3 and a molecular weight of 687.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID146376272
Molecular FormulaC50H45N3
Molecular Weight687.93 g/mol
Exact Mass687.36
IUPAC Name6-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
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)cccc5n3c24)cc1
InChIInChI=1S/C50H45N3/c1-49(2,3)34-26-30-38(31-27-34)51(36-16-9-7-10-17-36)42-22-14-24-44-46(42)40-20-13-21-41-47-43(23-15-25-45(47)53(44)48(40)41)52(37-18-11-8-12-19-37)39-32-28-35(29-33-39)50(4,5)6/h7-33H,1-6H3
InChIKeyMEOOHSSWNAXXPD-UHFFFAOYSA-N
XLogP14.37
TPSA10.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.93
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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-diphenyl-10-N,25-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
CID 138746120
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
14-N-[3-(17-tert-butyl-5,29-diphenyl-1,5,29-triazanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6(11),7,9,12,15,17,19(33),20(32),21,23,25,27,30-pentadecaen-9-yl)phenyl]-6-N,6-N,14-N-triphenyl-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 155221625
10-N,25-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-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
CID 138745936
8,23-ditert-butyl-13-N,13-N,28-N,28-N-tetraphenyl-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-13,28-diamine
CID 167343399
8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-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-8,23-diamine
CID 138745109
N-[4-[4-[4-[N-(4-tert-butylphenyl)-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[4-[N-naphthalen-1-yl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159251897
20,28-ditert-butyl-N-(20,28-ditert-butyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18(23),19,21,25(30),26,28-pentadecaen-6-yl)-N-phenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8,10,12,16,18(23),19,21,25(30),26,28-pentadecaen-6-amine
CID 167105184
N-(3-tert-butylnaphthalen-2-yl)-N-(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 171728519
9,24-ditert-butyl-15-N,15-N,30-N,30-N-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-15,30-diamine
CID 167343573

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(N(c2ccccc2)c2cccc3c2c2cccc4c5c(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)cccc5n3c24)cc1.
What is the InChIKey of 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?
The InChIKey is MEOOHSSWNAXXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45N3/c1-49(2,3)34-26-30-38(31-27-34)51(36-16-9-7-10-17-36)42-22-14-24-44-46(42)40-20-13-21-41-47-43(23-15-25-45(47)53(44)48(40)41)52(37-18-11-8-12-19-37)39-32-28-35(29-33-39)50(4,5)6/h7-33H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 687.93 g/mol, XLogP of 14.37, 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(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 is sourced from PubChem (CID 146376272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).