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

C58H55N — CID 168738993

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3ccccc3)c(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3-c3ccccc3C3CCCCC3)cc21
InChIInChI=1S/C58H55N/c1-58(2)54-27-15-13-25-49(54)52-37-53(48-24-12-10-22-46(48)41-19-7-4-8-20-41)57(38-55(52)58)59(44-33-31-42(32-34-44)51-36-39-29-30-43(51)35-39)56-28-16-14-26-50(56)47-23-11-9-21-45(47)40-17-5-3-6-18-40/h4,7-16,19-28,31-34,37-40,43,51H,3,5-6,17-18,29-30,35-36H2,1-2H3
InChIKeyATHIRPDPPYXFAZ-UHFFFAOYSA-N
MW766.09 g/mol
LogP16.42
Rot. Bonds8

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

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine (PubChem CID 168738993) 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-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
PubChem CID168738993
Molecular FormulaC58H55N
Molecular Weight766.09 g/mol
Exact Mass765.43
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3ccccc3)c(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3-c3ccccc3C3CCCCC3)cc21
InChIInChI=1S/C58H55N/c1-58(2)54-27-15-13-25-49(54)52-37-53(48-24-12-10-22-46(48)41-19-7-4-8-20-41)57(38-55(52)58)59(44-33-31-42(32-34-44)51-36-39-29-30-43(51)35-39)56-28-16-14-26-50(56)47-23-11-9-21-45(47)40-17-5-3-6-18-40/h4,7-16,19-28,31-34,37-40,43,51H,3,5-6,17-18,29-30,35-36H2,1-2H3
InChIKeyATHIRPDPPYXFAZ-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-(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[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168739128
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]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine
CID 168739211
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-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168739187
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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738887
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-3-naphthalen-1-ylfluoren-2-amine
CID 168738960
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-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 168739125
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
CID 168738645

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of 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) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccccc3-c3ccccc3)c(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3-c3ccccc3C3CCCCC3)cc21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is ATHIRPDPPYXFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55N/c1-58(2)54-27-15-13-25-49(54)52-37-53(48-24-12-10-22-46(48)41-19-7-4-8-20-41)57(38-55(52)58)59(44-33-31-42(32-34-44)51-36-39-29-30-43(51)35-39)56-28-16-14-26-50(56)47-23-11-9-21-45(47)40-17-5-3-6-18-40/h4,7-16,19-28,31-34,37-40,43,51H,3,5-6,17-18,29-30,35-36H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-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-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168738993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).