N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine

C40H38N4 — CID 46937311

IUPACN-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCc3ccc(-c4ccc(CNc5c6c(nc7ccccc57)CCCC6)cc4)cc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C40H38N4/c1-5-13-35-31(9-1)39(32-10-2-6-14-36(32)43-35)41-25-27-17-21-29(22-18-27)30-23-19-28(20-24-30)26-42-40-33-11-3-7-15-37(33)44-38-16-8-4-12-34(38)40/h1,3,5,7,9,11,13,15,17-24H,2,4,6,8,10,12,14,16,25-26H2,(H,41,43)(H,42,44)
InChIKeyWIXYVLRIZYZCIN-UHFFFAOYSA-N
MW574.77 g/mol
LogP9.43
Rot. Bonds7

About N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 46937311) has the molecular formula C40H38N4 and a molecular weight of 574.77 g/mol. Its IUPAC name is N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID46937311
Molecular FormulaC40H38N4
Molecular Weight574.77 g/mol
Exact Mass574.31
IUPAC NameN-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCc3ccc(-c4ccc(CNc5c6c(nc7ccccc57)CCCC6)cc4)cc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C40H38N4/c1-5-13-35-31(9-1)39(32-10-2-6-14-36(32)43-35)41-25-27-17-21-29(22-18-27)30-23-19-28(20-24-30)26-42-40-33-11-3-7-15-37(33)44-38-16-8-4-12-34(38)40/h1,3,5,7,9,11,13,15,17-24H,2,4,6,8,10,12,14,16,25-26H2,(H,41,43)(H,42,44)
InChIKeyWIXYVLRIZYZCIN-UHFFFAOYSA-N
XLogP9.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 59.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 46937311) is N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine is c1ccc2c(NCc3ccc(-c4ccc(CNc5c6c(nc7ccccc57)CCCC6)cc4)cc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is WIXYVLRIZYZCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N4/c1-5-13-35-31(9-1)39(32-10-2-6-14-36(32)43-35)41-25-27-17-21-29(22-18-27)30-23-19-28(20-24-30)26-42-40-33-11-3-7-15-37(33)44-38-16-8-4-12-34(38)40/h1,3,5,7,9,11,13,15,17-24H,2,4,6,8,10,12,14,16,25-26H2,(H,41,43)(H,42,44).
What are the key properties of N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 574.77 g/mol, XLogP of 9.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[(1,2,3,4-tetrahydroacridin-9-ylamino)methyl]phenyl]phenyl]methyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 46937311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).