N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C44H52N2 — CID 67519350

IUPACN-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)C4CCC5CCCCC5C4)cc3)cc2)C2CCC3CCCCC3C2)cc1
InChIInChI=1S/C44H52N2/c1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44/h1-6,15-22,25-28,33-34,37-38,43-44H,7-14,23-24,29-32H2
InChIKeyZSIXUNVKRFWKJB-UHFFFAOYSA-N
MW608.91 g/mol
LogP12.35
Rot. Bonds7

About N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 67519350) has the molecular formula C44H52N2 and a molecular weight of 608.91 g/mol. Its IUPAC name is N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID67519350
Molecular FormulaC44H52N2
Molecular Weight608.91 g/mol
Exact Mass608.41
IUPAC NameN-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)C4CCC5CCCCC5C4)cc3)cc2)C2CCC3CCCCC3C2)cc1
InChIInChI=1S/C44H52N2/c1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44/h1-6,15-22,25-28,33-34,37-38,43-44H,7-14,23-24,29-32H2
InChIKeyZSIXUNVKRFWKJB-UHFFFAOYSA-N
XLogP12.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.91
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 67519350) is N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)C4CCC5CCCCC5C4)cc3)cc2)C2CCC3CCCCC3C2)cc1.
What is the InChIKey of N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is ZSIXUNVKRFWKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52N2/c1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44/h1-6,15-22,25-28,33-34,37-38,43-44H,7-14,23-24,29-32H2.
What are the key properties of N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 608.91 g/mol, XLogP of 12.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 67519350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).