N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine

C57H43N — CID 170136631

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4ccccc4c3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)cccc21
InChIInChI=1S/C57H43N/c1-56(2)49-27-13-10-25-47(49)55-46(26-17-29-52(55)56)45-24-12-16-31-54(45)58(42-34-32-38-18-7-8-19-39(38)36-42)53-30-15-11-22-43(53)40-33-35-51-48(37-40)44-23-9-14-28-50(44)57(51,3)41-20-5-4-6-21-41/h4-37H,1-3H3
InChIKeyJNYZSTSGVGNCPJ-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.28
Rot. Bonds6

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine (PubChem CID 170136631) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine
PubChem CID170136631
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4ccccc4c3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)cccc21
InChIInChI=1S/C57H43N/c1-56(2)49-27-13-10-25-47(49)55-46(26-17-29-52(55)56)45-24-12-16-31-54(45)58(42-34-32-38-18-7-8-19-39(38)36-42)53-30-15-11-22-43(53)40-33-35-51-48(37-40)44-23-9-14-28-50(44)57(51,3)41-20-5-4-6-21-41/h4-37H,1-3H3
InChIKeyJNYZSTSGVGNCPJ-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170136312
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170137215
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170135293
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
CID 170134796
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
9-methyl-N-naphthalen-2-yl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020120
2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169019481
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170142050
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylaniline
CID 170136624

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine (CID 170136631) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4ccccc4c3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine?
The InChIKey is JNYZSTSGVGNCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-56(2)49-27-13-10-25-47(49)55-46(26-17-29-52(55)56)45-24-12-16-31-54(45)58(42-34-32-38-18-7-8-19-39(38)36-42)53-30-15-11-22-43(53)40-33-35-51-48(37-40)44-23-9-14-28-50(44)57(51,3)41-20-5-4-6-21-41/h4-37H,1-3H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine has a molecular weight of 741.98 g/mol, XLogP of 15.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170136631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).