3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine

C42H46N2 — CID 175408177

IUPAC3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)c(Nn2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C42H46N2/c1-40(2,3)30-20-22-37-35(24-30)36-25-31(41(4,5)6)21-23-38(36)44(37)43-39-33(28-16-12-10-13-17-28)26-32(42(7,8)9)27-34(39)29-18-14-11-15-19-29/h10-27,43H,1-9H3
InChIKeyGSKDTSGUEMVWSW-UHFFFAOYSA-N
MW578.84 g/mol
LogP11.90
Rot. Bonds4

About 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine

3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine (PubChem CID 175408177) has the molecular formula C42H46N2 and a molecular weight of 578.84 g/mol. Its IUPAC name is 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine.

Molecular Properties

Compound Name3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine
PubChem CID175408177
Molecular FormulaC42H46N2
Molecular Weight578.84 g/mol
Exact Mass578.37
IUPAC Name3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)c(Nn2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccccc2)c1
InChIInChI=1S/C42H46N2/c1-40(2,3)30-20-22-37-35(24-30)36-25-31(41(4,5)6)21-23-38(36)44(37)43-39-33(28-16-12-10-13-17-28)26-32(42(7,8)9)27-34(39)29-18-14-11-15-19-29/h10-27,43H,1-9H3
InChIKeyGSKDTSGUEMVWSW-UHFFFAOYSA-N
XLogP11.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.84
LogP ≤ 511.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine?
The IUPAC name of 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine (CID 175408177) is 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine.
What is the SMILES notation for 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine?
The canonical SMILES for 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine is CC(C)(C)c1cc(-c2ccccc2)c(Nn2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccccc2)c1.
What is the InChIKey of 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine?
The InChIKey is GSKDTSGUEMVWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46N2/c1-40(2,3)30-20-22-37-35(24-30)36-25-31(41(4,5)6)21-23-38(36)44(37)43-39-33(28-16-12-10-13-17-28)26-32(42(7,8)9)27-34(39)29-18-14-11-15-19-29/h10-27,43H,1-9H3.
What are the key properties of 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine?
3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine has a molecular weight of 578.84 g/mol, XLogP of 11.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine is sourced from PubChem (CID 175408177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).