5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine

C34H38N2 — CID 138453906

IUPAC5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
SMILESCc1cc(C)c(Nc2cc3ccc2CCc2ccc(c(Nc4c(C)cc(C)cc4C)c2)CC3)c(C)c1
InChIInChI=1S/C34H38N2/c1-21-15-23(3)33(24(4)16-21)35-31-19-27-7-11-29(31)13-9-28-8-12-30(14-10-27)32(20-28)36-34-25(5)17-22(2)18-26(34)6/h7-8,11-12,15-20,35-36H,9-10,13-14H2,1-6H3
InChIKeyCNYUFLBKAKUJAZ-UHFFFAOYSA-N
MW474.69 g/mol
LogP8.91
Rot. Bonds4

About 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine

5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine (PubChem CID 138453906) has the molecular formula C34H38N2 and a molecular weight of 474.69 g/mol. Its IUPAC name is 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine.

Molecular Properties

Compound Name5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
PubChem CID138453906
Molecular FormulaC34H38N2
Molecular Weight474.69 g/mol
Exact Mass474.30
IUPAC Name5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine
SMILESCc1cc(C)c(Nc2cc3ccc2CCc2ccc(c(Nc4c(C)cc(C)cc4C)c2)CC3)c(C)c1
InChIInChI=1S/C34H38N2/c1-21-15-23(3)33(24(4)16-21)35-31-19-27-7-11-29(31)13-9-28-8-12-30(14-10-27)32(20-28)36-34-25(5)17-22(2)18-26(34)6/h7-8,11-12,15-20,35-36H,9-10,13-14H2,1-6H3
InChIKeyCNYUFLBKAKUJAZ-UHFFFAOYSA-N
XLogP8.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.69
LogP ≤ 58.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine with MolForge

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Related Compounds

5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 14921005
2-N,3-N,6-N,7-N,10-N,11-N-hexakis(2,4,6-trimethylphenyl)triphenylene-2,3,6,7,10,11-hexamine
CID 122204956
(1R,2R)-N,N'-bis(2,6-dimethylphenyl)-1,2-bis(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethane-1,2-diamine
CID 101190103
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660
(2,4-dimethylphenyl)-(3,5-dimethylphenyl)-[11-[(3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane
CID 134991120
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4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine
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1,4,5-trihydroxy-8-(2,4,6-trimethylanilino)anthracene-9,10-dione
CID 20568132
9,10-bis(2,4,6-trimethylanilino)-2,3-dihydroanthracene-1,4-dione
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Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
The IUPAC name of 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine (CID 138453906) is 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine.
What is the SMILES notation for 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
The canonical SMILES for 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine is Cc1cc(C)c(Nc2cc3ccc2CCc2ccc(c(Nc4c(C)cc(C)cc4C)c2)CC3)c(C)c1.
What is the InChIKey of 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
The InChIKey is CNYUFLBKAKUJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2/c1-21-15-23(3)33(24(4)16-21)35-31-19-27-7-11-29(31)13-9-28-8-12-30(14-10-27)32(20-28)36-34-25(5)17-22(2)18-26(34)6/h7-8,11-12,15-20,35-36H,9-10,13-14H2,1-6H3.
What are the key properties of 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine?
5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine has a molecular weight of 474.69 g/mol, XLogP of 8.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,11-N-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-diamine is sourced from PubChem (CID 138453906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).