N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine

C56H59N — CID 168738817

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)c4ccccc34)ccc2-c2cccc(-c3ccc(C4CCCCC4)cc3)c21
InChIInChI=1S/C56H59N/c1-56(2)53-36-45(30-31-49(53)51-19-11-18-46(55(51)56)42-24-22-40(23-25-42)38-12-5-3-6-13-38)57(44-28-26-41(27-29-44)39-14-7-4-8-15-39)54-33-32-48(47-16-9-10-17-50(47)54)52-35-37-20-21-43(52)34-37/h9-11,16-19,22-33,36-39,43,52H,3-8,12-15,20-21,34-35H2,1-2H3
InChIKeyWCJIBDLUXSMBJX-UHFFFAOYSA-N
MW746.09 g/mol
LogP16.28
Rot. Bonds7

About N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 168738817) has the molecular formula C56H59N and a molecular weight of 746.09 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID168738817
Molecular FormulaC56H59N
Molecular Weight746.09 g/mol
Exact Mass745.46
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)c4ccccc34)ccc2-c2cccc(-c3ccc(C4CCCCC4)cc3)c21
InChIInChI=1S/C56H59N/c1-56(2)53-36-45(30-31-49(53)51-19-11-18-46(55(51)56)42-24-22-40(23-25-42)38-12-5-3-6-13-38)57(44-28-26-41(27-29-44)39-14-7-4-8-15-39)54-33-32-48(47-16-9-10-17-50(47)54)52-35-37-20-21-43(52)34-37/h9-11,16-19,22-33,36-39,43,52H,3-8,12-15,20-21,34-35H2,1-2H3
InChIKeyWCJIBDLUXSMBJX-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 ≤ 500746.09
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738800
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-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738743
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-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
CID 168739480
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738887
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-naphthalen-2-ylfluoren-2-amine
CID 168739163
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-phenylfluoren-2-amine
CID 168738478
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738754
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-naphthalen-1-ylfluoren-2-amine
CID 168739061
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-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739015

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine (CID 168738817) is N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)c4ccccc34)ccc2-c2cccc(-c3ccc(C4CCCCC4)cc3)c21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is WCJIBDLUXSMBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H59N/c1-56(2)53-36-45(30-31-49(53)51-19-11-18-46(55(51)56)42-24-22-40(23-25-42)38-12-5-3-6-13-38)57(44-28-26-41(27-29-44)39-14-7-4-8-15-39)54-33-32-48(47-16-9-10-17-50(47)54)52-35-37-20-21-43(52)34-37/h9-11,16-19,22-33,36-39,43,52H,3-8,12-15,20-21,34-35H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 746.09 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)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168738817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).