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

C46H47N — CID 168739480

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc(C4CCCCC4)c3)ccc2-c2cccc(-c3ccccc3)c21
InChIInChI=1S/C46H47N/c1-46(2)44-30-39(25-26-41(44)42-18-10-17-40(45(42)46)33-13-7-4-8-14-33)47(38-16-9-15-35(29-38)32-11-5-3-6-12-32)37-23-21-34(22-24-37)43-28-31-19-20-36(43)27-31/h4,7-10,13-18,21-26,29-32,36,43H,3,5-6,11-12,19-20,27-28H2,1-2H3
InChIKeySUWPHZVXXNYRPB-UHFFFAOYSA-N
MW613.89 g/mol
LogP13.08
Rot. Bonds6

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

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine (PubChem CID 168739480) has the molecular formula C46H47N and a molecular weight of 613.89 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
PubChem CID168739480
Molecular FormulaC46H47N
Molecular Weight613.89 g/mol
Exact Mass613.37
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc(C4CCCCC4)c3)ccc2-c2cccc(-c3ccccc3)c21
InChIInChI=1S/C46H47N/c1-46(2)44-30-39(25-26-41(44)42-18-10-17-40(45(42)46)33-13-7-4-8-14-33)47(38-16-9-15-35(29-38)32-11-5-3-6-12-32)37-23-21-34(22-24-37)43-28-31-19-20-36(43)27-31/h4,7-10,13-18,21-26,29-32,36,43H,3,5-6,11-12,19-20,27-28H2,1-2H3
InChIKeySUWPHZVXXNYRPB-UHFFFAOYSA-N
XLogP13.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.89
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine with MolForge

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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-dimethylfluoren-2-amine
CID 168738501
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-(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-cyclohexylphenyl)-9,9-dimethyl-8-naphthalen-2-ylfluoren-2-amine
CID 168739163
N-[4-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]-N,8-bis(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738817
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-[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-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
CID 168739049
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
CID 170543143
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine (CID 168739480) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine is CC1(C)c2cc(N(c3ccc(C4CC5CCC4C5)cc3)c3cccc(C4CCCCC4)c3)ccc2-c2cccc(-c3ccccc3)c21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine?
The InChIKey is SUWPHZVXXNYRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47N/c1-46(2)44-30-39(25-26-41(44)42-18-10-17-40(45(42)46)33-13-7-4-8-14-33)47(38-16-9-15-35(29-38)32-11-5-3-6-12-32)37-23-21-34(22-24-37)43-28-31-19-20-36(43)27-31/h4,7-10,13-18,21-26,29-32,36,43H,3,5-6,11-12,19-20,27-28H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine has a molecular weight of 613.89 g/mol, XLogP of 13.08, 6 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-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine is sourced from PubChem (CID 168739480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).