N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C42H40ClN — CID 15476324

IUPACN-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESClc1cc(C=C(c2ccccc2)c2ccccc2)ccc1N(c1ccc(C2CCCCC2)cc1)c1cccc2c1CCCC2
InChIInChI=1S/C42H40ClN/c43-40-30-31(29-39(35-15-6-2-7-16-35)36-17-8-3-9-18-36)23-28-42(40)44(41-22-12-20-34-19-10-11-21-38(34)41)37-26-24-33(25-27-37)32-13-4-1-5-14-32/h2-3,6-9,12,15-18,20,22-30,32H,1,4-5,10-11,13-14,19,21H2
InChIKeyNOAUEUXSAXHNAL-UHFFFAOYSA-N
MW594.24 g/mol
LogP12.33
Rot. Bonds7

About N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 15476324) has the molecular formula C42H40ClN and a molecular weight of 594.24 g/mol. Its IUPAC name is N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID15476324
Molecular FormulaC42H40ClN
Molecular Weight594.24 g/mol
Exact Mass593.28
IUPAC NameN-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESClc1cc(C=C(c2ccccc2)c2ccccc2)ccc1N(c1ccc(C2CCCCC2)cc1)c1cccc2c1CCCC2
InChIInChI=1S/C42H40ClN/c43-40-30-31(29-39(35-15-6-2-7-16-35)36-17-8-3-9-18-36)23-28-42(40)44(41-22-12-20-34-19-10-11-21-38(34)41)37-26-24-33(25-27-37)32-13-4-1-5-14-32/h2-3,6-9,12,15-18,20,22-30,32H,1,4-5,10-11,13-14,19,21H2
InChIKeyNOAUEUXSAXHNAL-UHFFFAOYSA-N
XLogP12.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.24
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(4-cyclohexylphenyl)-2-phenylethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 54386971
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 15476311
N-[4-(2,2-diphenylethenyl)phenyl]-3-methyl-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 20762376
1,4-bis[(Z)-2-[4-[(Z)-2-(4-cyclohexylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 148701620
N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine
CID 59012950
N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 54210687
3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
CID 177098600
2-(N-(4-cyclohexylphenyl)anilino)phenol
CID 22356901
4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
CID 59838926
N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 76837378
N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538778
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 15476324) is N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine is Clc1cc(C=C(c2ccccc2)c2ccccc2)ccc1N(c1ccc(C2CCCCC2)cc1)c1cccc2c1CCCC2.
What is the InChIKey of N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is NOAUEUXSAXHNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40ClN/c43-40-30-31(29-39(35-15-6-2-7-16-35)36-17-8-3-9-18-36)23-28-42(40)44(41-22-12-20-34-19-10-11-21-38(34)41)37-26-24-33(25-27-37)32-13-4-1-5-14-32/h2-3,6-9,12,15-18,20,22-30,32H,1,4-5,10-11,13-14,19,21H2.
What are the key properties of N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 594.24 g/mol, XLogP of 12.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2,2-diphenylethenyl)phenyl]-N-(4-cyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 15476324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).