N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine

C58H55N — CID 168739211

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc(-c4ccccc4C4CCCCC4)c3)c(-c3ccccc3)cc2-c2cccc(-c3ccccc3)c21
InChIInChI=1S/C58H55N/c1-58(2)55-38-56(53(42-20-10-5-11-21-42)37-54(55)51-27-15-26-50(57(51)58)41-18-8-4-9-19-41)59(46-32-30-43(31-33-46)52-35-39-28-29-45(52)34-39)47-23-14-22-44(36-47)49-25-13-12-24-48(49)40-16-6-3-7-17-40/h4-5,8-15,18-27,30-33,36-40,45,52H,3,6-7,16-17,28-29,34-35H2,1-2H3
InChIKeyBVLJLKHTHHIZHE-UHFFFAOYSA-N
MW766.09 g/mol
LogP16.42
Rot. Bonds8

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine (PubChem CID 168739211) 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-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine
PubChem CID168739211
Molecular FormulaC58H55N
Molecular Weight766.09 g/mol
Exact Mass765.43
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc(-c4ccccc4C4CCCCC4)c3)c(-c3ccccc3)cc2-c2cccc(-c3ccccc3)c21
InChIInChI=1S/C58H55N/c1-58(2)55-38-56(53(42-20-10-5-11-21-42)37-54(55)51-27-15-26-50(57(51)58)41-18-8-4-9-19-41)59(46-32-30-43(31-33-46)52-35-39-28-29-45(52)34-39)47-23-14-22-44(36-47)49-25-13-12-24-48(49)40-16-6-3-7-17-40/h4-5,8-15,18-27,30-33,36-40,45,52H,3,6-7,16-17,28-29,34-35H2,1-2H3
InChIKeyBVLJLKHTHHIZHE-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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,7-diphenylfluoren-2-amine
CID 168739128
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]-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-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
CID 168738993
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-[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-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-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-6-naphthalen-2-ylfluoren-2-amine
CID 168738752
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-[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-(7-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 168739125

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine (CID 168739211) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc(-c4ccccc4C4CCCCC4)c3)c(-c3ccccc3)cc2-c2cccc(-c3ccccc3)c21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine?
The InChIKey is BVLJLKHTHHIZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55N/c1-58(2)55-38-56(53(42-20-10-5-11-21-42)37-54(55)51-27-15-26-50(57(51)58)41-18-8-4-9-19-41)59(46-32-30-43(31-33-46)52-35-39-28-29-45(52)34-39)47-23-14-22-44(36-47)49-25-13-12-24-48(49)40-16-6-3-7-17-40/h4-5,8-15,18-27,30-33,36-40,45,52H,3,6-7,16-17,28-29,34-35H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-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-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3,8-diphenylfluoren-2-amine is sourced from PubChem (CID 168739211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).