N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C57H53N — CID 170293567

IUPACN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C57H53N/c1-55(2,3)42-34-41(35-43(36-42)56(4,5)6)46-24-16-20-40-21-17-25-50(54(40)46)49-23-13-15-27-53(49)58(44-30-28-39(29-31-44)38-18-10-9-11-19-38)45-32-33-48-47-22-12-14-26-51(47)57(7,8)52(48)37-45/h9-37H,1-8H3
InChIKeyHRKSWQRUHABSTR-UHFFFAOYSA-N
MW752.06 g/mol
LogP16.21
Rot. Bonds6

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 170293567) has the molecular formula C57H53N and a molecular weight of 752.06 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID170293567
Molecular FormulaC57H53N
Molecular Weight752.06 g/mol
Exact Mass751.42
IUPAC NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C57H53N/c1-55(2,3)42-34-41(35-43(36-42)56(4,5)6)46-24-16-20-40-21-17-25-50(54(40)46)49-23-13-15-27-53(49)58(44-30-28-39(29-31-44)38-18-10-9-11-19-38)45-32-33-48-47-22-12-14-26-51(47)57(7,8)52(48)37-45/h9-37H,1-8H3
InChIKeyHRKSWQRUHABSTR-UHFFFAOYSA-N
XLogP16.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.06
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-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-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170291586
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170303978
3,5-ditert-butyl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291554
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
CID 170303967
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-amine
CID 170303543
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288884
N-[2-(3,5-ditert-butylphenyl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)aniline
CID 170288404
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303578
N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215483
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304806
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
CID 170304031

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 170293567) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is HRKSWQRUHABSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H53N/c1-55(2,3)42-34-41(35-43(36-42)56(4,5)6)46-24-16-20-40-21-17-25-50(54(40)46)49-23-13-15-27-53(49)58(44-30-28-39(29-31-44)38-18-10-9-11-19-38)45-32-33-48-47-22-12-14-26-51(47)57(7,8)52(48)37-45/h9-37H,1-8H3.
What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 752.06 g/mol, XLogP of 16.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 170293567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).