4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine

C60H52N2 — CID 101478385

IUPAC4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3cc(N(c4ccc(-c5ccc(C)cc5)cc4)c4ccc(-c5ccc(C)cc5)cc4)c(C)cc3C)cc2)cc1
InChIInChI=1S/C60H52N2/c1-41-7-15-47(16-8-41)51-23-31-55(32-24-51)61(56-33-25-52(26-34-56)48-17-9-42(2)10-18-48)59-40-60(46(6)39-45(59)5)62(57-35-27-53(28-36-57)49-19-11-43(3)12-20-49)58-37-29-54(30-38-58)50-21-13-44(4)14-22-50/h7-40H,1-6H3
InChIKeyAULMACKHGRCYHE-UHFFFAOYSA-N
MW801.09 g/mol
LogP17.14
Rot. Bonds10

About 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine

4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine (PubChem CID 101478385) has the molecular formula C60H52N2 and a molecular weight of 801.09 g/mol. Its IUPAC name is 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
PubChem CID101478385
Molecular FormulaC60H52N2
Molecular Weight801.09 g/mol
Exact Mass800.41
IUPAC Name4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3cc(N(c4ccc(-c5ccc(C)cc5)cc4)c4ccc(-c5ccc(C)cc5)cc4)c(C)cc3C)cc2)cc1
InChIInChI=1S/C60H52N2/c1-41-7-15-47(16-8-41)51-23-31-55(32-24-51)61(56-33-25-52(26-34-56)48-17-9-42(2)10-18-48)59-40-60(46(6)39-45(59)5)62(57-35-27-53(28-36-57)49-19-11-43(3)12-20-49)58-37-29-54(30-38-58)50-21-13-44(4)14-22-50/h7-40H,1-6H3
InChIKeyAULMACKHGRCYHE-UHFFFAOYSA-N
XLogP17.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.09
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine?
The IUPAC name of 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine (CID 101478385) is 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine is Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3cc(N(c4ccc(-c5ccc(C)cc5)cc4)c4ccc(-c5ccc(C)cc5)cc4)c(C)cc3C)cc2)cc1.
What is the InChIKey of 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine?
The InChIKey is AULMACKHGRCYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2/c1-41-7-15-47(16-8-41)51-23-31-55(32-24-51)61(56-33-25-52(26-34-56)48-17-9-42(2)10-18-48)59-40-60(46(6)39-45(59)5)62(57-35-27-53(28-36-57)49-19-11-43(3)12-20-49)58-37-29-54(30-38-58)50-21-13-44(4)14-22-50/h7-40H,1-6H3.
What are the key properties of 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine?
4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine has a molecular weight of 801.09 g/mol, XLogP of 17.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 101478385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).