6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine

C56H52N4 — CID 59182405

IUPAC6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c4c5ccccc5c5c6ccc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)cc6n(C)c5c4n(C)c3c2)c1
InChIInChI=1S/C56H52N4/c1-33-19-34(2)24-43(23-33)59(44-25-35(3)20-36(4)26-44)41-15-17-49-51(31-41)57(9)55-53(49)47-13-11-12-14-48(47)54-50-18-16-42(32-52(50)58(10)56(54)55)60(45-27-37(5)21-38(6)28-45)46-29-39(7)22-40(8)30-46/h11-32H,1-10H3
InChIKeyYCRUUUPWKHHSIY-UHFFFAOYSA-N
MW781.06 g/mol
LogP15.54
Rot. Bonds6

About 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine

6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine (PubChem CID 59182405) has the molecular formula C56H52N4 and a molecular weight of 781.06 g/mol. Its IUPAC name is 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine.

Molecular Properties

Compound Name6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
PubChem CID59182405
Molecular FormulaC56H52N4
Molecular Weight781.06 g/mol
Exact Mass780.42
IUPAC Name6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c4c5ccccc5c5c6ccc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)cc6n(C)c5c4n(C)c3c2)c1
InChIInChI=1S/C56H52N4/c1-33-19-34(2)24-43(23-33)59(44-25-35(3)20-36(4)26-44)41-15-17-49-51(31-41)57(9)55-53(49)47-13-11-12-14-48(47)54-50-18-16-42(32-52(50)58(10)56(54)55)60(45-27-37(5)21-38(6)28-45)46-29-39(7)22-40(8)30-46/h11-32H,1-10H3
InChIKeyYCRUUUPWKHHSIY-UHFFFAOYSA-N
XLogP15.54
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.06
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine with MolForge

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Related Compounds

6-N,21-N-bis(4-tert-butylphenyl)-3,24-dimethyl-6-N,21-N-diphenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59181739
21-methyl-N-naphthalen-2-yl-N-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 126631430
6-N-cyclohexa-1,3-dien-1-yl-3,24-dimethyl-6-N,21-N,21-N-triphenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 70923164
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
3,5-dimethyl-N,N-diphenylaniline
CID 10516410
4,18-difluoro-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 166446600
5-N,5-N,18-N,18-N-tetrakis(4-methylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010641
2-N,6-N-bis(3,5-dimethylphenyl)-9,10-diethyl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 88869113
6-N,6-N,10-N,18-N,18-N,22-N,22-N-heptakis(3,5-dimethylphenyl)-10-N-phenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3(8),4,6,9,11,13(26),15(20),16,18,21,23-dodecaene-6,10,18,22-tetramine
CID 168856496
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 89104265
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
9,10-ditert-butyl-2-N,6-N-bis(3,5-dimethylphenyl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 88869129

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine?
The IUPAC name of 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine (CID 59182405) is 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine.
What is the SMILES notation for 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine?
The canonical SMILES for 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c4c5ccccc5c5c6ccc(N(c7cc(C)cc(C)c7)c7cc(C)cc(C)c7)cc6n(C)c5c4n(C)c3c2)c1.
What is the InChIKey of 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine?
The InChIKey is YCRUUUPWKHHSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52N4/c1-33-19-34(2)24-43(23-33)59(44-25-35(3)20-36(4)26-44)41-15-17-49-51(31-41)57(9)55-53(49)47-13-11-12-14-48(47)54-50-18-16-42(32-52(50)58(10)56(54)55)60(45-27-37(5)21-38(6)28-45)46-29-39(7)22-40(8)30-46/h11-32H,1-10H3.
What are the key properties of 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine?
6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine has a molecular weight of 781.06 g/mol, XLogP of 15.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,21-N,21-N-tetrakis(3,5-dimethylphenyl)-3,24-dimethyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine is sourced from PubChem (CID 59182405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).