N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C49H43N — CID 176781165

IUPACN-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C49H43N/c1-48(2,3)46-32-38(35-19-11-7-12-20-35)31-43(37-21-13-8-14-22-37)47(46)50(39-27-25-36(26-28-39)34-17-9-6-10-18-34)40-29-30-42-41-23-15-16-24-44(41)49(4,5)45(42)33-40/h6-33H,1-5H3
InChIKeyKFHYSSXQKKIMIU-UHFFFAOYSA-N
MW645.89 g/mol
LogP13.76
Rot. Bonds6

About N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 176781165) has the molecular formula C49H43N and a molecular weight of 645.89 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID176781165
Molecular FormulaC49H43N
Molecular Weight645.89 g/mol
Exact Mass645.34
IUPAC NameN-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C49H43N/c1-48(2,3)46-32-38(35-19-11-7-12-20-35)31-43(37-21-13-8-14-22-37)47(46)50(39-27-25-36(26-28-39)34-17-9-6-10-18-34)40-29-30-42-41-23-15-16-24-44(41)49(4,5)45(42)33-40/h6-33H,1-5H3
InChIKeyKFHYSSXQKKIMIU-UHFFFAOYSA-N
XLogP13.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.89
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 176781171
2,3-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 177067952
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(2,4,6-triphenylphenyl)fluoren-2-amine
CID 155181804
9,9-dimethyl-N-phenyl-N-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166676983
N-[2,6-bis(2-methylphenyl)-4-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 146578317
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-6-phenyl-4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 155221159
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
9,9-dimethyl-N-(2-methyl-4-naphthalen-2-yl-6-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155221008

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 176781165) is N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is KFHYSSXQKKIMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N/c1-48(2,3)46-32-38(35-19-11-7-12-20-35)31-43(37-21-13-8-14-22-37)47(46)50(39-27-25-36(26-28-39)34-17-9-6-10-18-34)40-29-30-42-41-23-15-16-24-44(41)49(4,5)45(42)33-40/h6-33H,1-5H3.
What are the key properties of N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 645.89 g/mol, XLogP of 13.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 176781165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).