N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine

C56H59N — CID 168739428

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(C4CCCCC4)cc3)cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccccc4cc3C3CCCCC3)cc21
InChIInChI=1S/C56H59N/c1-56(2)52-20-12-11-19-48(52)55-51(42-25-23-39(24-26-42)38-13-5-3-6-14-38)35-47(36-53(55)56)57(46-29-27-41(28-30-46)49-32-37-21-22-45(49)31-37)54-34-44-18-10-9-17-43(44)33-50(54)40-15-7-4-8-16-40/h9-12,17-20,23-30,33-38,40,45,49H,3-8,13-16,21-22,31-32H2,1-2H3
InChIKeyVBNFKVLHAULYKG-UHFFFAOYSA-N
MW746.10 g/mol
LogP16.28
Rot. Bonds7

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 168739428) has the molecular formula C56H59N and a molecular weight of 746.10 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID168739428
Molecular FormulaC56H59N
Molecular Weight746.10 g/mol
Exact Mass745.46
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(C4CCCCC4)cc3)cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccccc4cc3C3CCCCC3)cc21
InChIInChI=1S/C56H59N/c1-56(2)52-20-12-11-19-48(52)55-51(42-25-23-39(24-26-42)38-13-5-3-6-14-38)35-47(36-53(55)56)57(46-29-27-41(28-30-46)49-32-37-21-22-45(49)31-37)54-34-44-18-10-9-17-43(44)33-50(54)40-15-7-4-8-16-40/h9-12,17-20,23-30,33-38,40,45,49H,3-8,13-16,21-22,31-32H2,1-2H3
InChIKeyVBNFKVLHAULYKG-UHFFFAOYSA-N
XLogP16.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.10
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4-phenylfluoren-2-amine
CID 168739124
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-(4-cyclohexylphenyl)-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168738806
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(6-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-4-naphthalen-2-ylfluoren-2-amine
CID 168739003
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(4-phenylphenyl)fluoren-2-amine
CID 168739230
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738878
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine
CID 168739032
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739044
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-ylfluoren-2-amine
CID 168738546
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-4-(2-phenylphenyl)fluoren-2-amine
CID 168739443
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5-(4-cyclohexylphenyl)-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168739394
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
CID 168738866
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-2-ylfluoren-2-amine
CID 168738568

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine (CID 168739428) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2c(-c3ccc(C4CCCCC4)cc3)cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cc4ccccc4cc3C3CCCCC3)cc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is VBNFKVLHAULYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H59N/c1-56(2)52-20-12-11-19-48(52)55-51(42-25-23-39(24-26-42)38-13-5-3-6-14-38)35-47(36-53(55)56)57(46-29-27-41(28-30-46)49-32-37-21-22-45(49)31-37)54-34-44-18-10-9-17-43(44)33-50(54)40-15-7-4-8-16-40/h9-12,17-20,23-30,33-38,40,45,49H,3-8,13-16,21-22,31-32H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 746.10 g/mol, XLogP of 16.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-4-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168739428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).