N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine

C56H53N — CID 168738800

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)c4ccccc34)ccc2-c2cccc(-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C56H53N/c1-56(2)53-36-43(30-31-48(53)51-23-13-22-50(55(51)56)45-19-10-9-18-44(45)40-16-7-4-8-17-40)57(42-28-26-39(27-29-42)38-14-5-3-6-15-38)54-33-32-47(46-20-11-12-21-49(46)54)52-35-37-24-25-41(52)34-37/h4,7-13,16-23,26-33,36-38,41,52H,3,5-6,14-15,24-25,34-35H2,1-2H3
InChIKeyQGJAXFNJIKYBIS-UHFFFAOYSA-N
MW740.05 g/mol
LogP15.90
Rot. Bonds7

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

N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine (PubChem CID 168738800) 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)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
PubChem CID168738800
Molecular FormulaC56H53N
Molecular Weight740.05 g/mol
Exact Mass739.42
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)c4ccccc34)ccc2-c2cccc(-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C56H53N/c1-56(2)53-36-43(30-31-48(53)51-23-13-22-50(55(51)56)45-19-10-9-18-44(45)40-16-7-4-8-17-40)57(42-28-26-39(27-29-42)38-14-5-3-6-15-38)54-33-32-47(46-20-11-12-21-49(46)54)52-35-37-24-25-41(52)34-37/h4,7-13,16-23,26-33,36-38,41,52H,3,5-6,14-15,24-25,34-35H2,1-2H3
InChIKeyQGJAXFNJIKYBIS-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)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738817
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-[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-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
CID 168739480
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-[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)-9,9-dimethyl-8-naphthalen-2-ylfluoren-2-amine
CID 168739163
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
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739466

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of 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) is N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)c4ccccc34)ccc2-c2cccc(-c3ccccc3-c3ccccc3)c21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is QGJAXFNJIKYBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53N/c1-56(2)53-36-43(30-31-48(53)51-23-13-22-50(55(51)56)45-19-10-9-18-44(45)40-16-7-4-8-17-40)57(42-28-26-39(27-29-42)38-14-5-3-6-15-38)54-33-32-47(46-20-11-12-21-49(46)54)52-35-37-24-25-41(52)34-37/h4,7-13,16-23,26-33,36-38,41,52H,3,5-6,14-15,24-25,34-35H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-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)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168738800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).