8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine

C56H40N4 — CID 59182269

IUPAC8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
SMILESCN1c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2cc3c(c4cccc1c24)c1ccc(N(c2ccccc2)c2cccc4ccccc24)cc1n3C
InChIInChI=1S/C56H40N4/c1-57-51-29-15-26-47-55-46-33-31-42(60(40-22-7-4-8-23-40)50-28-14-19-38-17-10-12-25-44(38)50)35-53(46)58(2)54(55)36-48(56(47)51)45-32-30-41(34-52(45)57)59(39-20-5-3-6-21-39)49-27-13-18-37-16-9-11-24-43(37)49/h3-36H,1-2H3
InChIKeyRQYKJDFWUVIIPR-UHFFFAOYSA-N
MW768.96 g/mol
LogP15.48
Rot. Bonds6

About 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine

8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine (PubChem CID 59182269) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine.

Molecular Properties

Compound Name8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
PubChem CID59182269
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC Name8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
SMILESCN1c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2cc3c(c4cccc1c24)c1ccc(N(c2ccccc2)c2cccc4ccccc24)cc1n3C
InChIInChI=1S/C56H40N4/c1-57-51-29-15-26-47-55-46-33-31-42(60(40-22-7-4-8-23-40)50-28-14-19-38-17-10-12-25-44(38)50)35-53(46)58(2)54(55)36-48(56(47)51)45-32-30-41(34-52(45)57)59(39-20-5-3-6-21-39)49-27-13-18-37-16-9-11-24-43(37)49/h3-36H,1-2H3
InChIKeyRQYKJDFWUVIIPR-UHFFFAOYSA-N
XLogP15.48
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine with MolForge

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Related Compounds

5-N,18-N-bis(4-tert-butylphenyl)-8,21-dimethyl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 59182753
4-[8,21-dimethyl-18-[4-(N-phenylanilino)phenyl]-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-5-yl]-N,N-diphenylaniline
CID 59182338
8,21-dimethyl-5,18-bis(2-phenylnaphthalen-1-yl)-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 59181645
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 53433854
N-naphthalen-1-yl-N-phenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaen-5-amine
CID 90069910
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281

Frequently Asked Questions

What is the IUPAC name of 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
The IUPAC name of 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine (CID 59182269) is 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine.
What is the SMILES notation for 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
The canonical SMILES for 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine is CN1c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2cc3c(c4cccc1c24)c1ccc(N(c2ccccc2)c2cccc4ccccc24)cc1n3C.
What is the InChIKey of 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
The InChIKey is RQYKJDFWUVIIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-57-51-29-15-26-47-55-46-33-31-42(60(40-22-7-4-8-23-40)50-28-14-19-38-17-10-12-25-44(38)50)35-53(46)58(2)54(55)36-48(56(47)51)45-32-30-41(34-52(45)57)59(39-20-5-3-6-21-39)49-27-13-18-37-16-9-11-24-43(37)49/h3-36H,1-2H3.
What are the key properties of 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine has a molecular weight of 768.96 g/mol, XLogP of 15.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,21-dimethyl-5-N,18-N-dinaphthalen-1-yl-5-N,18-N-diphenyl-8,21-diazahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine is sourced from PubChem (CID 59182269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).