2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline

C67H59N — CID 170303747

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
SMILESCC1C=Cc2ccccc2C1c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC6CC3C64C5)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C67H59N/c1-42-25-26-46-15-5-6-18-53(46)64(42)48-29-34-52(35-30-48)68(61-24-10-8-20-57(61)58-22-12-17-47-16-11-21-54(65(47)58)45-13-3-2-4-14-45)51-32-27-44(28-33-51)49-31-36-56-55-19-7-9-23-59(55)67(60(56)39-49)62-38-43-37-50-40-63(67)66(50,62)41-43/h5-12,15-36,39,42-43,45,50,62-64H,2-4,13-14,37-38,40-41H2,1H3
InChIKeyUGCFCUCQOVHHNP-UHFFFAOYSA-N
MW878.22 g/mol
LogP17.82
Rot. Bonds7

About 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline (PubChem CID 170303747) has the molecular formula C67H59N and a molecular weight of 878.22 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
PubChem CID170303747
Molecular FormulaC67H59N
Molecular Weight878.22 g/mol
Exact Mass877.46
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
SMILESCC1C=Cc2ccccc2C1c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC6CC3C64C5)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1
InChIInChI=1S/C67H59N/c1-42-25-26-46-15-5-6-18-53(46)64(42)48-29-34-52(35-30-48)68(61-24-10-8-20-57(61)58-22-12-17-47-16-11-21-54(65(47)58)45-13-3-2-4-14-45)51-32-27-44(28-33-51)49-31-36-56-55-19-7-9-23-59(55)67(60(56)39-49)62-38-43-37-50-40-63(67)66(50,62)41-43/h5-12,15-36,39,42-43,45,50,62-64H,2-4,13-14,37-38,40-41H2,1H3
InChIKeyUGCFCUCQOVHHNP-UHFFFAOYSA-N
XLogP17.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.22
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline with MolForge

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Related Compounds

2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
CID 170303731
(7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine
CID 170304460
2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
CID 170304602
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303754
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170303625
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293079
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170303846
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 170303669
9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine
CID 170304350
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303856
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-6-methyl-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-9,9-diphenyl-5,6-dihydrofluoren-2-amine
CID 170303812
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-phenanthren-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303707

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline (CID 170303747) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline is CC1C=Cc2ccccc2C1c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC6CC3C64C5)cc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc1.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline?
The InChIKey is UGCFCUCQOVHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H59N/c1-42-25-26-46-15-5-6-18-53(46)64(42)48-29-34-52(35-30-48)68(61-24-10-8-20-57(61)58-22-12-17-47-16-11-21-54(65(47)58)45-13-3-2-4-14-45)51-32-27-44(28-33-51)49-31-36-56-55-19-7-9-23-59(55)67(60(56)39-49)62-38-43-37-50-40-63(67)66(50,62)41-43/h5-12,15-36,39,42-43,45,50,62-64H,2-4,13-14,37-38,40-41H2,1H3.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline has a molecular weight of 878.22 g/mol, XLogP of 17.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(2-methyl-1,2-dihydronaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline is sourced from PubChem (CID 170303747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).