N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine

C38H33N — CID 135164032

IUPACN-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)cc1
InChIInChI=1S/C38H33N/c1-3-9-28(10-4-1)30-19-22-37(23-20-30)39(36-13-5-2-6-14-36)38-24-21-31-16-18-34(26-35(31)27-38)33-17-15-29-11-7-8-12-32(29)25-33/h2,5-8,11-28H,1,3-4,9-10H2
InChIKeyVUWWRPSLTSMKDK-UHFFFAOYSA-N
MW503.69 g/mol
LogP11.18
Rot. Bonds5

About N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine

N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine (PubChem CID 135164032) has the molecular formula C38H33N and a molecular weight of 503.69 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine
PubChem CID135164032
Molecular FormulaC38H33N
Molecular Weight503.69 g/mol
Exact Mass503.26
IUPAC NameN-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)cc1
InChIInChI=1S/C38H33N/c1-3-9-28(10-4-1)30-19-22-37(23-20-30)39(36-13-5-2-6-14-36)38-24-21-31-16-18-34(26-35(31)27-38)33-17-15-29-11-7-8-12-32(29)25-33/h2,5-8,11-28H,1,3-4,9-10H2
InChIKeyVUWWRPSLTSMKDK-UHFFFAOYSA-N
XLogP11.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine (CID 135164032) is N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine?
The InChIKey is VUWWRPSLTSMKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N/c1-3-9-28(10-4-1)30-19-22-37(23-20-30)39(36-13-5-2-6-14-36)38-24-21-31-16-18-34(26-35(31)27-38)33-17-15-29-11-7-8-12-32(29)25-33/h2,5-8,11-28H,1,3-4,9-10H2.
What are the key properties of N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine?
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine has a molecular weight of 503.69 g/mol, XLogP of 11.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 135164032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).