3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine

C44H47N7 — CID 58925352

IUPAC3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine
SMILESCN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc3[nH]c4ccc(N(c5ccc(N(C)C)cc5)c5ccc(N(C)C)cc5)cc4c3c2)cc1
InChIInChI=1S/C44H47N7/c1-46(2)31-9-17-35(18-10-31)50(36-19-11-32(12-20-36)47(3)4)39-25-27-43-41(29-39)42-30-40(26-28-44(42)45-43)51(37-21-13-33(14-22-37)48(5)6)38-23-15-34(16-24-38)49(7)8/h9-30,45H,1-8H3
InChIKeySLERARGHVYFDFX-UHFFFAOYSA-N
MW673.91 g/mol
LogP10.52
Rot. Bonds10

About 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine

3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine (PubChem CID 58925352) has the molecular formula C44H47N7 and a molecular weight of 673.91 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine
PubChem CID58925352
Molecular FormulaC44H47N7
Molecular Weight673.91 g/mol
Exact Mass673.39
IUPAC Name3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine
SMILESCN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc3[nH]c4ccc(N(c5ccc(N(C)C)cc5)c5ccc(N(C)C)cc5)cc4c3c2)cc1
InChIInChI=1S/C44H47N7/c1-46(2)31-9-17-35(18-10-31)50(36-19-11-32(12-20-36)47(3)4)39-25-27-43-41(29-39)42-30-40(26-28-44(42)45-43)51(37-21-13-33(14-22-37)48(5)6)38-23-15-34(16-24-38)49(7)8/h9-30,45H,1-8H3
InChIKeySLERARGHVYFDFX-UHFFFAOYSA-N
XLogP10.52
TPSA35.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.91
LogP ≤ 510.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine?
The IUPAC name of 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine (CID 58925352) is 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine is CN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc3[nH]c4ccc(N(c5ccc(N(C)C)cc5)c5ccc(N(C)C)cc5)cc4c3c2)cc1.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine?
The InChIKey is SLERARGHVYFDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N7/c1-46(2)31-9-17-35(18-10-31)50(36-19-11-32(12-20-36)47(3)4)39-25-27-43-41(29-39)42-30-40(26-28-44(42)45-43)51(37-21-13-33(14-22-37)48(5)6)38-23-15-34(16-24-38)49(7)8/h9-30,45H,1-8H3.
What are the key properties of 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine?
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine has a molecular weight of 673.91 g/mol, XLogP of 10.52, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine is sourced from PubChem (CID 58925352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).