N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine

C56H53N — CID 168739125

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4ccc(C5CCCCC5)cc4c3)c(-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C56H53N/c1-56(2)52-20-12-19-48(40-15-8-4-9-16-40)55(52)51-35-50(41-17-10-5-11-18-41)54(36-53(51)56)57(46-28-26-42(27-29-46)49-32-37-21-22-44(49)31-37)47-30-25-39-23-24-43(33-45(39)34-47)38-13-6-3-7-14-38/h4-5,8-12,15-20,23-30,33-38,44,49H,3,6-7,13-14,21-22,31-32H2,1-2H3
InChIKeyUYWGJOLYLPAMFM-UHFFFAOYSA-N
MW740.05 g/mol
LogP15.90
Rot. Bonds7

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine (PubChem CID 168739125) has the molecular formula C56H53N and a molecular weight of 740.05 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine
PubChem CID168739125
Molecular FormulaC56H53N
Molecular Weight740.05 g/mol
Exact Mass739.42
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4ccc(C5CCCCC5)cc4c3)c(-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C56H53N/c1-56(2)52-20-12-19-48(40-15-8-4-9-16-40)55(52)51-35-50(41-17-10-5-11-18-41)54(36-53(51)56)57(46-28-26-42(27-29-46)49-32-37-21-22-44(49)31-37)47-30-25-39-23-24-43(33-45(39)34-47)38-13-6-3-7-14-38/h4-5,8-12,15-20,23-30,33-38,44,49H,3,6-7,13-14,21-22,31-32H2,1-2H3
InChIKeyUYWGJOLYLPAMFM-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-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738853
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-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-phenylfluoren-2-amine
CID 168738530
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-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168738962
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-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine
CID 168739211
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
CID 168738993
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168739128
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
CID 168738772
N-[4-(2-bicyclo[2.2.2]octanyl)phenyl]-N,5-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739127

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine (CID 168739125) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4ccc(C5CCCCC5)cc4c3)c(-c3ccccc3)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine?
The InChIKey is UYWGJOLYLPAMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53N/c1-56(2)52-20-12-19-48(40-15-8-4-9-16-40)55(52)51-35-50(41-17-10-5-11-18-41)54(36-53(51)56)57(46-28-26-42(27-29-46)49-32-37-21-22-44(49)31-37)47-30-25-39-23-24-43(33-45(39)34-47)38-13-6-3-7-14-38/h4-5,8-12,15-20,23-30,33-38,44,49H,3,6-7,13-14,21-22,31-32H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-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-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine is sourced from PubChem (CID 168739125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).