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

C52H51N — CID 168738645

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3C3CCCCC3)c(-c3ccccc3)c21
InChIInChI=1S/C52H51N/c1-52(2)46-23-14-22-43(37-17-8-4-9-18-37)50(46)44-31-32-48(49(51(44)52)39-19-10-5-11-20-39)53(47-24-13-12-21-42(47)36-15-6-3-7-16-36)41-29-27-38(28-30-41)45-34-35-25-26-40(45)33-35/h4-5,8-14,17-24,27-32,35-36,40,45H,3,6-7,15-16,25-26,33-34H2,1-2H3
InChIKeyMQVYZIAFGAJPAQ-UHFFFAOYSA-N
MW689.99 g/mol
LogP14.75
Rot. Bonds7

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

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine (PubChem CID 168738645) has the molecular formula C52H51N and a molecular weight of 689.99 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
PubChem CID168738645
Molecular FormulaC52H51N
Molecular Weight689.99 g/mol
Exact Mass689.40
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine
SMILESCC1(C)c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3C3CCCCC3)c(-c3ccccc3)c21
InChIInChI=1S/C52H51N/c1-52(2)46-23-14-22-43(37-17-8-4-9-18-37)50(46)44-31-32-48(49(51(44)52)39-19-10-5-11-20-39)53(47-24-13-12-21-42(47)36-15-6-3-7-16-36)41-29-27-38(28-30-41)45-34-35-25-26-40(45)33-35/h4-5,8-14,17-24,27-32,35-36,40,45H,3,6-7,15-16,25-26,33-34H2,1-2H3
InChIKeyMQVYZIAFGAJPAQ-UHFFFAOYSA-N
XLogP14.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.99
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(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-cyclohexylphenyl)-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
CID 168738772
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]-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-naphthalen-1-ylfluoren-2-amine
CID 168739282
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-(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-[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)phenyl]-N-[2-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-3-(2-phenylphenyl)fluoren-2-amine
CID 168738993

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine (CID 168738645) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-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-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine is CC1(C)c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccccc3C3CCCCC3)c(-c3ccccc3)c21.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
The InChIKey is MQVYZIAFGAJPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N/c1-52(2)46-23-14-22-43(37-17-8-4-9-18-37)50(46)44-31-32-48(49(51(44)52)39-19-10-5-11-20-39)53(47-24-13-12-21-42(47)36-15-6-3-7-16-36)41-29-27-38(28-30-41)45-34-35-25-26-40(45)33-35/h4-5,8-14,17-24,27-32,35-36,40,45H,3,6-7,15-16,25-26,33-34H2,1-2H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(2-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine has a molecular weight of 689.99 g/mol, XLogP of 14.75, 7 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-cyclohexylphenyl)-9,9-dimethyl-1,5-diphenylfluoren-2-amine is sourced from PubChem (CID 168738645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).