N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline

C29H28N2 — CID 174882577

IUPACN-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(-c3cc(C)cc4c3[nH]c3ccc(C)cc34)cc2)c(C)c1
InChIInChI=1S/C29H28N2/c1-17-6-11-27-25(14-17)26-16-19(3)15-24(29(26)31-27)22-7-9-23(10-8-22)30-28-20(4)12-18(2)13-21(28)5/h6-16,30-31H,1-5H3
InChIKeyGRFAHCBMGNKNGI-UHFFFAOYSA-N
MW404.56 g/mol
LogP8.27
Rot. Bonds3

About N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline

N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline (PubChem CID 174882577) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline
PubChem CID174882577
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC NameN-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(-c3cc(C)cc4c3[nH]c3ccc(C)cc34)cc2)c(C)c1
InChIInChI=1S/C29H28N2/c1-17-6-11-27-25(14-17)26-16-19(3)15-24(29(26)31-27)22-7-9-23(10-8-22)30-28-20(4)12-18(2)13-21(28)5/h6-16,30-31H,1-5H3
InChIKeyGRFAHCBMGNKNGI-UHFFFAOYSA-N
XLogP8.27
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline (CID 174882577) is N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2ccc(-c3cc(C)cc4c3[nH]c3ccc(C)cc34)cc2)c(C)c1.
What is the InChIKey of N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline?
The InChIKey is GRFAHCBMGNKNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2/c1-17-6-11-27-25(14-17)26-16-19(3)15-24(29(26)31-27)22-7-9-23(10-8-22)30-28-20(4)12-18(2)13-21(28)5/h6-16,30-31H,1-5H3.
What are the key properties of N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline?
N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline has a molecular weight of 404.56 g/mol, XLogP of 8.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-dimethyl-9H-carbazol-1-yl)phenyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 174882577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).