9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

C42H39N3O4 — CID 154717251

IUPAC9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCCn1c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2c2cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C42H39N3O4/c1-6-43-41-25-15-33(44(29-7-17-35(46-2)18-8-29)30-9-19-36(47-3)20-10-30)27-39(41)40-28-34(16-26-42(40)43)45(31-11-21-37(48-4)22-12-31)32-13-23-38(49-5)24-14-32/h7-28H,6H2,1-5H3
InChIKeyCCRDPNNSFMJDCW-UHFFFAOYSA-N
MW649.79 g/mol
LogP10.79
Rot. Bonds11

About 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 154717251) has the molecular formula C42H39N3O4 and a molecular weight of 649.79 g/mol. Its IUPAC name is 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID154717251
Molecular FormulaC42H39N3O4
Molecular Weight649.79 g/mol
Exact Mass649.29
IUPAC Name9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCCn1c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2c2cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C42H39N3O4/c1-6-43-41-25-15-33(44(29-7-17-35(46-2)18-8-29)30-9-19-36(47-3)20-10-30)27-39(41)40-28-34(16-26-42(40)43)45(31-11-21-37(48-4)22-12-31)32-13-23-38(49-5)24-14-32/h7-28H,6H2,1-5H3
InChIKeyCCRDPNNSFMJDCW-UHFFFAOYSA-N
XLogP10.79
TPSA48.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.79
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (CID 154717251) is 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is CCn1c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2c2cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc21.
What is the InChIKey of 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is CCRDPNNSFMJDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39N3O4/c1-6-43-41-25-15-33(44(29-7-17-35(46-2)18-8-29)30-9-19-36(47-3)20-10-30)27-39(41)40-28-34(16-26-42(40)43)45(31-11-21-37(48-4)22-12-31)32-13-23-38(49-5)24-14-32/h7-28H,6H2,1-5H3.
What are the key properties of 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 649.79 g/mol, XLogP of 10.79, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 154717251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).