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

C58H55N — CID 168738887

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)ccc2-c2cccc(-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C58H55N/c1-58(2)56-38-47(34-35-52(56)54-23-13-22-53(57(54)58)51-21-12-11-20-50(51)41-16-7-4-8-17-41)59(46-32-28-43(29-33-46)55-37-39-24-25-44(55)36-39)45-30-26-42(27-31-45)49-19-10-9-18-48(49)40-14-5-3-6-15-40/h4,7-13,16-23,26-35,38-40,44,55H,3,5-6,14-15,24-25,36-37H2,1-2H3
InChIKeyKAWSRFBIFRMJQG-UHFFFAOYSA-N
MW766.09 g/mol
LogP16.42
Rot. Bonds8

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

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine (PubChem CID 168738887) 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-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
PubChem CID168738887
Molecular FormulaC58H55N
Molecular Weight766.09 g/mol
Exact Mass765.43
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)ccc2-c2cccc(-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C58H55N/c1-58(2)56-38-47(34-35-52(56)54-23-13-22-53(57(54)58)51-21-12-11-20-50(51)41-16-7-4-8-17-41)59(46-32-28-43(29-33-46)55-37-39-24-25-44(55)36-39)45-30-26-42(27-31-45)49-19-10-9-18-48(49)40-14-5-3-6-15-40/h4,7-13,16-23,26-35,38-40,44,55H,3,5-6,14-15,24-25,36-37H2,1-2H3
InChIKeyKAWSRFBIFRMJQG-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-8-(2-phenylphenyl)fluoren-2-amine
CID 168738743
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
CID 168739480
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-[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-4,7-diphenylfluoren-2-amine
CID 168739032
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)naphthalen-1-yl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738800
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-cyclohexylphenyl)-9,9-dimethyl-8-naphthalen-2-ylfluoren-2-amine
CID 168739163
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-6-naphthalen-2-ylfluoren-2-amine
CID 168738752
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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168738529

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-8-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of 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) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-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-8-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccc(C4CC5CCC4C5)cc3)ccc2-c2cccc(-c3ccccc3-c3ccccc3)c21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is KAWSRFBIFRMJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55N/c1-58(2)56-38-47(34-35-52(56)54-23-13-22-53(57(54)58)51-21-12-11-20-50(51)41-16-7-4-8-17-41)59(46-32-28-43(29-33-46)55-37-39-24-25-44(55)36-39)45-30-26-42(27-31-45)49-19-10-9-18-48(49)40-14-5-3-6-15-40/h4,7-13,16-23,26-35,38-40,44,55H,3,5-6,14-15,24-25,36-37H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 168738887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).