4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline

C46H54N2 — CID 131994978

IUPAC4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline
SMILESCC1=CCC(N(C2=CCC(C3(C4C=CC(N(C5=CC=C(C)CC5)c5ccc(C)cc5)=CC4)CCCCC3)C=C2)c2ccc(C)cc2)C=C1
InChIInChI=1S/C46H54N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-14,16,18,20-22,24-26,28-31,38-39,41H,5-7,15,17,19,23,27,32-33H2,1-4H3
InChIKeyNRVFKGLPSGGTHN-UHFFFAOYSA-N
MW634.95 g/mol
LogP12.39
Rot. Bonds8

About 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline

4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 131994978) has the molecular formula C46H54N2 and a molecular weight of 634.95 g/mol. Its IUPAC name is 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline
PubChem CID131994978
Molecular FormulaC46H54N2
Molecular Weight634.95 g/mol
Exact Mass634.43
IUPAC Name4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline
SMILESCC1=CCC(N(C2=CCC(C3(C4C=CC(N(C5=CC=C(C)CC5)c5ccc(C)cc5)=CC4)CCCCC3)C=C2)c2ccc(C)cc2)C=C1
InChIInChI=1S/C46H54N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-14,16,18,20-22,24-26,28-31,38-39,41H,5-7,15,17,19,23,27,32-33H2,1-4H3
InChIKeyNRVFKGLPSGGTHN-UHFFFAOYSA-N
XLogP12.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.95
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline (CID 131994978) is 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline is CC1=CCC(N(C2=CCC(C3(C4C=CC(N(C5=CC=C(C)CC5)c5ccc(C)cc5)=CC4)CCCCC3)C=C2)c2ccc(C)cc2)C=C1.
What is the InChIKey of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is NRVFKGLPSGGTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-14,16,18,20-22,24-26,28-31,38-39,41H,5-7,15,17,19,23,27,32-33H2,1-4H3.
What are the key properties of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline?
4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 634.95 g/mol, XLogP of 12.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[1-[4-(4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)cyclohexa-2,4-dien-1-yl]cyclohexyl]cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 131994978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).