N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine

C58H55N — CID 168739187

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3-c3ccccc3C3CCCCC3)c(-c3ccccc3)c21
InChIInChI=1S/C58H55N/c1-58(2)52-27-16-26-47(41-19-8-4-9-20-41)56(52)50-35-36-54(55(57(50)58)43-21-10-5-11-22-43)59(45-33-31-42(32-34-45)51-38-39-29-30-44(51)37-39)53-28-15-14-25-49(53)48-24-13-12-23-46(48)40-17-6-3-7-18-40/h4-5,8-16,19-28,31-36,39-40,44,51H,3,6-7,17-18,29-30,37-38H2,1-2H3
InChIKeyKBXWITCFZYSSMS-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-1,5-diphenylfluoren-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine (PubChem CID 168739187) 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-1,5-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine
PubChem CID168739187
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-1,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3-c3ccccc3C3CCCCC3)c(-c3ccccc3)c21
InChIInChI=1S/C58H55N/c1-58(2)52-27-16-26-47(41-19-8-4-9-20-41)56(52)50-35-36-54(55(57(50)58)43-21-10-5-11-22-43)59(45-33-31-42(32-34-45)51-38-39-29-30-44(51)37-39)53-28-15-14-25-49(53)48-24-13-12-23-46(48)40-17-6-3-7-18-40/h4-5,8-16,19-28,31-36,39-40,44,51H,3,6-7,17-18,29-30,37-38H2,1-2H3
InChIKeyKBXWITCFZYSSMS-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-1,5-diphenylfluoren-2-amine
CID 168738645
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-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,3,5-triphenylfluoren-2-amine
CID 168739338
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-1-phenylfluoren-2-amine
CID 168738478
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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1-naphthalen-1-ylfluoren-2-amine
CID 168739282
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-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-4-phenylfluoren-2-amine
CID 168739124
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-(2-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-2-ylfluoren-2-amine
CID 168738568
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-1-naphthalen-2-ylfluoren-2-amine
CID 168738546
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
CID 168738772

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-1,5-diphenylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine (CID 168739187) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-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-1,5-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine is CC1(C)c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3-c3ccccc3C3CCCCC3)c(-c3ccccc3)c21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
The InChIKey is KBXWITCFZYSSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H55N/c1-58(2)52-27-16-26-47(41-19-8-4-9-20-41)56(52)50-35-36-54(55(57(50)58)43-21-10-5-11-22-43)59(45-33-31-42(32-34-45)51-38-39-29-30-44(51)37-39)53-28-15-14-25-49(53)48-24-13-12-23-46(48)40-17-6-3-7-18-40/h4-5,8-16,19-28,31-36,39-40,44,51H,3,6-7,17-18,29-30,37-38H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-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-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-1,5-diphenylfluoren-2-amine is sourced from PubChem (CID 168739187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).