N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine

C39H39N — CID 71188891

IUPACN-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(c2c3c(c(C4=CC=C(N(C5=CCCC=C5)C5C=CC=CC5)CC4)c4ccccc24)=CCCC=3)CC1
InChIInChI=1S/C39H39N/c1-28-20-22-29(23-21-28)38-34-16-8-10-18-36(34)39(37-19-11-9-17-35(37)38)30-24-26-33(27-25-30)40(31-12-4-2-5-13-31)32-14-6-3-7-15-32/h2,4-6,8,10,12,14-20,22,24,26,31H,3,7,9,11,13,21,23,25,27H2,1H3
InChIKeyLSJCAVJWDFHRMO-UHFFFAOYSA-N
MW521.75 g/mol
LogP8.80
Rot. Bonds5

About N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine

N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 71188891) has the molecular formula C39H39N and a molecular weight of 521.75 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine
PubChem CID71188891
Molecular FormulaC39H39N
Molecular Weight521.75 g/mol
Exact Mass521.31
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(c2c3c(c(C4=CC=C(N(C5=CCCC=C5)C5C=CC=CC5)CC4)c4ccccc24)=CCCC=3)CC1
InChIInChI=1S/C39H39N/c1-28-20-22-29(23-21-28)38-34-16-8-10-18-36(34)39(37-19-11-9-17-35(37)38)30-24-26-33(27-25-30)40(31-12-4-2-5-13-31)32-14-6-3-7-15-32/h2,4-6,8,10,12,14-20,22,24,26,31H,3,7,9,11,13,21,23,25,27H2,1H3
InChIKeyLSJCAVJWDFHRMO-UHFFFAOYSA-N
XLogP8.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.75
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine (CID 71188891) is N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine is CC1=CC=C(c2c3c(c(C4=CC=C(N(C5=CCCC=C5)C5C=CC=CC5)CC4)c4ccccc24)=CCCC=3)CC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is LSJCAVJWDFHRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39N/c1-28-20-22-29(23-21-28)38-34-16-8-10-18-36(34)39(37-19-11-9-17-35(37)38)30-24-26-33(27-25-30)40(31-12-4-2-5-13-31)32-14-6-3-7-15-32/h2,4-6,8,10,12,14-20,22,24,26,31H,3,7,9,11,13,21,23,25,27H2,1H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine?
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 521.75 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[10-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71188891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).