N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine

C64H59N — CID 168739338

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)c(-c3ccccc3)c21
InChIInChI=1S/C64H59N/c1-64(2)59-29-17-28-55(45-20-9-4-10-21-45)61(59)58-42-57(46-22-11-5-12-23-46)63(60(62(58)64)49-24-13-6-14-25-49)65(52-38-34-48(35-39-52)56-41-43-30-31-50(56)40-43)51-36-32-47(33-37-51)54-27-16-15-26-53(54)44-18-7-3-8-19-44/h4-6,9-17,20-29,32-39,42-44,50,56H,3,7-8,18-19,30-31,40-41H2,1-2H3
InChIKeyZWVLYFJOXAAVBJ-UHFFFAOYSA-N
MW842.18 g/mol
LogP18.08
Rot. Bonds9

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine (PubChem CID 168739338) has the molecular formula C64H59N and a molecular weight of 842.18 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine
PubChem CID168739338
Molecular FormulaC64H59N
Molecular Weight842.18 g/mol
Exact Mass841.46
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)c(-c3ccccc3)c21
InChIInChI=1S/C64H59N/c1-64(2)59-29-17-28-55(45-20-9-4-10-21-45)61(59)58-42-57(46-22-11-5-12-23-46)63(60(62(58)64)49-24-13-6-14-25-49)65(52-38-34-48(35-39-52)56-41-43-30-31-50(56)40-43)51-36-32-47(33-37-51)54-27-16-15-26-53(54)44-18-7-3-8-19-44/h4-6,9-17,20-29,32-39,42-44,50,56H,3,7-8,18-19,30-31,40-41H2,1-2H3
InChIKeyZWVLYFJOXAAVBJ-UHFFFAOYSA-N
XLogP18.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.18
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168739187
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168738645
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]-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]-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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4,7-diphenylfluoren-2-amine
CID 168739032
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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168738529
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-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine
CID 168739211
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine
CID 168739282
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-phenylfluoren-2-amine
CID 168738478

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine (CID 168739338) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine is CC1(C)c2cccc(-c3ccccc3)c2-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)c(-c3ccccc3)c21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine?
The InChIKey is ZWVLYFJOXAAVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H59N/c1-64(2)59-29-17-28-55(45-20-9-4-10-21-45)61(59)58-42-57(46-22-11-5-12-23-46)63(60(62(58)64)49-24-13-6-14-25-49)65(52-38-34-48(35-39-52)56-41-43-30-31-50(56)40-43)51-36-32-47(33-37-51)54-27-16-15-26-53(54)44-18-7-3-8-19-44/h4-6,9-17,20-29,32-39,42-44,50,56H,3,7-8,18-19,30-31,40-41H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine has a molecular weight of 842.18 g/mol, XLogP of 18.08, 9 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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine is sourced from PubChem (CID 168739338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).