(4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine

C26H21N — CID 87857753

IUPAC(4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine
SMILESCN(C)c1cccc2/c1=c1/cccc/c1=c1\cccc\c1=c1/cccc/c1=2
InChIInChI=1S/C26H21N/c1-27(2)25-17-9-16-24-22-13-6-5-12-20(22)18-10-3-4-11-19(18)21-14-7-8-15-23(21)26(24)25/h3-17H,1-2H3/b20-18-,21-19-,24-22-,26-23+
InChIKeyDZDMRQCHEVPFMT-NLBRCDLYSA-N
MW347.46 g/mol
LogP5.21
Rot. Bonds1

About (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine

(4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine (PubChem CID 87857753) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine.

Molecular Properties

Compound Name(4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine
PubChem CID87857753
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC Name(4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine
SMILESCN(C)c1cccc2/c1=c1/cccc/c1=c1\cccc\c1=c1/cccc/c1=2
InChIInChI=1S/C26H21N/c1-27(2)25-17-9-16-24-22-13-6-5-12-20(22)18-10-3-4-11-19(18)21-14-7-8-15-23(21)26(24)25/h3-17H,1-2H3/b20-18-,21-19-,24-22-,26-23+
InChIKeyDZDMRQCHEVPFMT-NLBRCDLYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine?
The IUPAC name of (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine (CID 87857753) is (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine.
What is the SMILES notation for (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine?
The canonical SMILES for (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine is CN(C)c1cccc2/c1=c1/cccc/c1=c1\cccc\c1=c1/cccc/c1=2.
What is the InChIKey of (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine?
The InChIKey is DZDMRQCHEVPFMT-NLBRCDLYSA-N. The full InChI is InChI=1S/C26H21N/c1-27(2)25-17-9-16-24-22-13-6-5-12-20(22)18-10-3-4-11-19(18)21-14-7-8-15-23(21)26(24)25/h3-17H,1-2H3/b20-18-,21-19-,24-22-,26-23+.
What are the key properties of (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine?
(4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine has a molecular weight of 347.46 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8aZ,12aZ,16aE)-N,N-dimethyltetraphenylen-1-amine is sourced from PubChem (CID 87857753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).