N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine

C56H53N — CID 168739156

IUPACN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C56H53N/c1-56(2)53-17-9-16-50(49-15-8-13-42-12-6-7-14-48(42)49)55(53)51-33-32-47(36-54(51)56)57(45-28-24-40(25-29-45)38-10-4-3-5-11-38)46-30-26-41(27-31-46)39-20-22-43(23-21-39)52-35-37-18-19-44(52)34-37/h6-9,12-17,20-33,36-38,44,52H,3-5,10-11,18-19,34-35H2,1-2H3
InChIKeyBUPGLASVRHFPOE-UHFFFAOYSA-N
MW740.05 g/mol
LogP15.90
Rot. Bonds7

About N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine

N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine (PubChem CID 168739156) has the molecular formula C56H53N and a molecular weight of 740.05 g/mol. Its IUPAC name is N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
PubChem CID168739156
Molecular FormulaC56H53N
Molecular Weight740.05 g/mol
Exact Mass739.42
IUPAC NameN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C56H53N/c1-56(2)53-17-9-16-50(49-15-8-13-42-12-6-7-14-48(42)49)55(53)51-33-32-47(36-54(51)56)57(45-28-24-40(25-29-45)38-10-4-3-5-11-38)46-30-26-41(27-31-46)39-20-22-43(23-21-39)52-35-37-18-19-44(52)34-37/h6-9,12-17,20-33,36-38,44,52H,3-5,10-11,18-19,34-35H2,1-2H3
InChIKeyBUPGLASVRHFPOE-UHFFFAOYSA-N
XLogP15.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.05
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168738529
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-naphthalen-1-ylfluoren-2-amine
CID 168738960
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738853
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N,5-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739127
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-naphthalen-1-yl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176364
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
CID 168739049
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
CID 170543143
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,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-4-naphthalen-1-ylfluoren-2-amine
CID 168739242
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738524
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-2-ylfluoren-2-amine
CID 168738568
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738743

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine (CID 168739156) is N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc(C4CCCCC4)cc3)ccc2-c2c(-c3cccc4ccccc34)cccc21.
What is the InChIKey of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine?
The InChIKey is BUPGLASVRHFPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53N/c1-56(2)53-17-9-16-50(49-15-8-13-42-12-6-7-14-48(42)49)55(53)51-33-32-47(36-54(51)56)57(45-28-24-40(25-29-45)38-10-4-3-5-11-38)46-30-26-41(27-31-46)39-20-22-43(23-21-39)52-35-37-18-19-44(52)34-37/h6-9,12-17,20-33,36-38,44,52H,3-5,10-11,18-19,34-35H2,1-2H3.
What are the key properties of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine?
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine has a molecular weight of 740.05 g/mol, XLogP of 15.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 168739156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).