4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine

C34H44N2 — CID 158107092

IUPAC4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(C)(C(C)C2(C)C=C(C)C(Nc3ccccc3)=C(C)C2C)C(C)C(C)=C1Nc1ccccc1
InChIInChI=1S/C34H44N2/c1-22-20-33(8,26(5)24(3)31(22)35-29-16-12-10-13-17-29)28(7)34(9)21-23(2)32(25(4)27(34)6)36-30-18-14-11-15-19-30/h10-21,26-28,35-36H,1-9H3
InChIKeyFPYVPCOOBZVREO-UHFFFAOYSA-N
MW480.74 g/mol
LogP9.60
Rot. Bonds6

About 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine

4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine (PubChem CID 158107092) has the molecular formula C34H44N2 and a molecular weight of 480.74 g/mol. Its IUPAC name is 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine
PubChem CID158107092
Molecular FormulaC34H44N2
Molecular Weight480.74 g/mol
Exact Mass480.35
IUPAC Name4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(C)(C(C)C2(C)C=C(C)C(Nc3ccccc3)=C(C)C2C)C(C)C(C)=C1Nc1ccccc1
InChIInChI=1S/C34H44N2/c1-22-20-33(8,26(5)24(3)31(22)35-29-16-12-10-13-17-29)28(7)34(9)21-23(2)32(25(4)27(34)6)36-30-18-14-11-15-19-30/h10-21,26-28,35-36H,1-9H3
InChIKeyFPYVPCOOBZVREO-UHFFFAOYSA-N
XLogP9.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.74
LogP ≤ 59.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine (CID 158107092) is 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine is CC1=CC(C)(C(C)C2(C)C=C(C)C(Nc3ccccc3)=C(C)C2C)C(C)C(C)=C1Nc1ccccc1.
What is the InChIKey of 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine?
The InChIKey is FPYVPCOOBZVREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2/c1-22-20-33(8,26(5)24(3)31(22)35-29-16-12-10-13-17-29)28(7)34(9)21-23(2)32(25(4)27(34)6)36-30-18-14-11-15-19-30/h10-21,26-28,35-36H,1-9H3.
What are the key properties of 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine?
4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine has a molecular weight of 480.74 g/mol, XLogP of 9.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-anilino-1,3,5,6-tetramethylcyclohexa-2,4-dien-1-yl)ethyl]-2,3,4,6-tetramethyl-N-phenylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 158107092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).