N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine

C58H55N — CID 168738973

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4cccc(C5CCCCC5)c4)cc3)c3ccc(C4CC5CCC4C5)cc3)cc21
InChIInChI=1S/C58H55N/c1-58(2)56-37-48(43-20-18-42(19-21-43)40-10-5-3-6-11-40)26-32-53(56)54-33-31-52(38-57(54)58)59(51-29-24-45(25-30-51)55-35-39-16-17-49(55)34-39)50-27-22-44(23-28-50)47-15-9-14-46(36-47)41-12-7-4-8-13-41/h3,5-6,9-11,14-15,18-33,36-39,41,49,55H,4,7-8,12-13,16-17,34-35H2,1-2H3
InChIKeyQIDAOOULXHCYBR-UHFFFAOYSA-N
MW766.09 g/mol
LogP16.42
Rot. Bonds8

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine (PubChem CID 168738973) has the molecular formula C58H55N and a molecular weight of 766.09 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
PubChem CID168738973
Molecular FormulaC58H55N
Molecular Weight766.09 g/mol
Exact Mass765.43
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4cccc(C5CCCCC5)c4)cc3)c3ccc(C4CC5CCC4C5)cc3)cc21
InChIInChI=1S/C58H55N/c1-58(2)56-37-48(43-20-18-42(19-21-43)40-10-5-3-6-11-40)26-32-53(56)54-33-31-52(38-57(54)58)59(51-29-24-45(25-30-51)55-35-39-16-17-49(55)34-39)50-27-22-44(23-28-50)47-15-9-14-46(36-47)41-12-7-4-8-13-41/h3,5-6,9-11,14-15,18-33,36-39,41,49,55H,4,7-8,12-13,16-17,34-35H2,1-2H3
InChIKeyQIDAOOULXHCYBR-UHFFFAOYSA-N
XLogP16.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.09
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 168738756
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)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
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-3,7-diphenylfluoren-2-amine
CID 168738962
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-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738878
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(7-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine
CID 168739409
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(8-cyclohexylnaphthalen-1-yl)-7-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168739075
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 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) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4cccc(C5CCCCC5)c4)cc3)c3ccc(C4CC5CCC4C5)cc3)cc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is QIDAOOULXHCYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55N/c1-58(2)56-37-48(43-20-18-42(19-21-43)40-10-5-3-6-11-40)26-32-53(56)54-33-31-52(38-57(54)58)59(51-29-24-45(25-30-51)55-35-39-16-17-49(55)34-39)50-27-22-44(23-28-50)47-15-9-14-46(36-47)41-12-7-4-8-13-41/h3,5-6,9-11,14-15,18-33,36-39,41,49,55H,4,7-8,12-13,16-17,34-35H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 766.09 g/mol, XLogP of 16.42, 8 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-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168738973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).