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

C66H55N — CID 170303731

IUPAC2-(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
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC6CC3C64C5)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C66H55N/c1-2-13-46(14-3-1)54-20-10-16-47-17-11-21-58(64(47)54)57-19-7-9-23-61(57)67(52-31-26-44(27-32-52)49-25-24-43-12-4-5-15-48(43)38-49)53-33-28-45(29-34-53)50-30-35-56-55-18-6-8-22-59(55)66(60(56)39-50)62-37-42-36-51-40-63(66)65(51,62)41-42/h4-12,15-35,38-39,42,46,51,62-63H,1-3,13-14,36-37,40-41H2
InChIKeyFZCOHLXUUNRMDN-UHFFFAOYSA-N
MW862.17 g/mol
LogP17.84
Rot. Bonds7

About 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

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 (PubChem CID 170303731) has the molecular formula C66H55N and a molecular weight of 862.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID170303731
Molecular FormulaC66H55N
Molecular Weight862.17 g/mol
Exact Mass861.43
IUPAC Name2-(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
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC6CC3C64C5)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C66H55N/c1-2-13-46(14-3-1)54-20-10-16-47-17-11-21-58(64(47)54)57-19-7-9-23-61(57)67(52-31-26-44(27-32-52)49-25-24-43-12-4-5-15-48(43)38-49)53-33-28-45(29-34-53)50-30-35-56-55-18-6-8-22-59(55)66(60(56)39-50)62-37-42-36-51-40-63(66)65(51,62)41-42/h4-12,15-35,38-39,42,46,51,62-63H,1-3,13-14,36-37,40-41H2
InChIKeyFZCOHLXUUNRMDN-UHFFFAOYSA-N
XLogP17.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.17
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
(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-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293079
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]-N-(3-phenanthren-1-ylphenyl)spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-amine
CID 170303707
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-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170303009
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-2-ylphenyl)-5-phenylspiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine
CID 170085240
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline
CID 170289431

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)C4CC5CC6CC3C64C5)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c(-c2cccc3cccc(C4CCCCC4)c23)c1.
What is the InChIKey of 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?
The InChIKey is FZCOHLXUUNRMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55N/c1-2-13-46(14-3-1)54-20-10-16-47-17-11-21-58(64(47)54)57-19-7-9-23-61(57)67(52-31-26-44(27-32-52)49-25-24-43-12-4-5-15-48(43)38-49)53-33-28-45(29-34-53)50-30-35-56-55-18-6-8-22-59(55)66(60(56)39-50)62-37-42-36-51-40-63(66)65(51,62)41-42/h4-12,15-35,38-39,42,46,51,62-63H,1-3,13-14,36-37,40-41H2.
What are the key properties of 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?
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 has a molecular weight of 862.17 g/mol, XLogP of 17.84, 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-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline is sourced from PubChem (CID 170303731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).