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

C56H53N — CID 168738853

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4ccc(C5CCCCC5)cc4c3)ccc2-c2c(-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C56H53N/c1-56(2)53-15-9-14-50(42-21-18-40(19-22-42)38-10-5-3-6-11-38)55(53)51-31-30-49(36-54(51)56)57(47-27-25-43(26-28-47)52-33-37-16-17-45(52)32-37)48-29-24-41-20-23-44(34-46(41)35-48)39-12-7-4-8-13-39/h3,5-6,9-11,14-15,18-31,34-37,39,45,52H,4,7-8,12-13,16-17,32-33H2,1-2H3
InChIKeyXABBHMUCQMGOPV-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-5-(4-phenylphenyl)fluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine (PubChem CID 168738853) 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-5-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
PubChem CID168738853
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-5-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4ccc(C5CCCCC5)cc4c3)ccc2-c2c(-c3ccc(-c4ccccc4)cc3)cccc21
InChIInChI=1S/C56H53N/c1-56(2)53-15-9-14-50(42-21-18-40(19-22-42)38-10-5-3-6-11-38)55(53)51-31-30-49(36-54(51)56)57(47-27-25-43(26-28-47)52-33-37-16-17-45(52)32-37)48-29-24-41-20-23-44(34-46(41)35-48)39-12-7-4-8-13-39/h3,5-6,9-11,14-15,18-31,34-37,39,45,52H,4,7-8,12-13,16-17,32-33H2,1-2H3
InChIKeyXABBHMUCQMGOPV-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-3,5-diphenylfluoren-2-amine
CID 168739125
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-(2-bicyclo[2.2.2]octanyl)phenyl]-N,5-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739127
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
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-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738973
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
N,N-bis(4-cyclohexylphenyl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine
CID 168738594
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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168738529
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176187

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-5-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 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) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-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-5-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4ccc(C5CCCCC5)cc4c3)ccc2-c2c(-c3ccc(-c4ccccc4)cc3)cccc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XABBHMUCQMGOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53N/c1-56(2)53-15-9-14-50(42-21-18-40(19-22-42)38-10-5-3-6-11-38)55(53)51-31-30-49(36-54(51)56)57(47-27-25-43(26-28-47)52-33-37-16-17-45(52)32-37)48-29-24-41-20-23-44(34-46(41)35-48)39-12-7-4-8-13-39/h3,5-6,9-11,14-15,18-31,34-37,39,45,52H,4,7-8,12-13,16-17,32-33H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-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)phenyl]-N-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-5-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168738853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).