7,8,11,12-tetrahydrotetraphenylen-1-amine

C24H21N — CID 170134543

IUPAC7,8,11,12-tetrahydrotetraphenylen-1-amine
SMILESNc1cccc2c1-c1ccccc1C1=C(C=CCC1)C1=C2C=CCC1
InChIInChI=1S/C24H21N/c25-23-15-7-14-22-20-11-4-3-10-18(20)16-8-1-2-9-17(16)19-12-5-6-13-21(19)24(22)23/h1,4-8,11-15H,2-3,9-10,25H2/b18-16-,19-17-,22-20-,24-21+
InChIKeyFNGDSLJAWYRISS-AWKMKJKLSA-N
MW323.44 g/mol
LogP6.16
Rot. Bonds

About 7,8,11,12-tetrahydrotetraphenylen-1-amine

7,8,11,12-tetrahydrotetraphenylen-1-amine (PubChem CID 170134543) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 7,8,11,12-tetrahydrotetraphenylen-1-amine.

Molecular Properties

Compound Name7,8,11,12-tetrahydrotetraphenylen-1-amine
PubChem CID170134543
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name7,8,11,12-tetrahydrotetraphenylen-1-amine
SMILESNc1cccc2c1-c1ccccc1C1=C(C=CCC1)C1=C2C=CCC1
InChIInChI=1S/C24H21N/c25-23-15-7-14-22-20-11-4-3-10-18(20)16-8-1-2-9-17(16)19-12-5-6-13-21(19)24(22)23/h1,4-8,11-15H,2-3,9-10,25H2/b18-16-,19-17-,22-20-,24-21+
InChIKeyFNGDSLJAWYRISS-AWKMKJKLSA-N
XLogP6.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8,11,12-tetrahydrotetraphenylen-1-amine?
The IUPAC name of 7,8,11,12-tetrahydrotetraphenylen-1-amine (CID 170134543) is 7,8,11,12-tetrahydrotetraphenylen-1-amine.
What is the SMILES notation for 7,8,11,12-tetrahydrotetraphenylen-1-amine?
The canonical SMILES for 7,8,11,12-tetrahydrotetraphenylen-1-amine is Nc1cccc2c1-c1ccccc1C1=C(C=CCC1)C1=C2C=CCC1.
What is the InChIKey of 7,8,11,12-tetrahydrotetraphenylen-1-amine?
The InChIKey is FNGDSLJAWYRISS-AWKMKJKLSA-N. The full InChI is InChI=1S/C24H21N/c25-23-15-7-14-22-20-11-4-3-10-18(20)16-8-1-2-9-17(16)19-12-5-6-13-21(19)24(22)23/h1,4-8,11-15H,2-3,9-10,25H2/b18-16-,19-17-,22-20-,24-21+.
What are the key properties of 7,8,11,12-tetrahydrotetraphenylen-1-amine?
7,8,11,12-tetrahydrotetraphenylen-1-amine has a molecular weight of 323.44 g/mol, XLogP of 6.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,11,12-tetrahydrotetraphenylen-1-amine is sourced from PubChem (CID 170134543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).