N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline

C32H33N — CID 59307879

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline
SMILESCc1cc(C)cc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)C(C)C)c1
InChIInChI=1S/C32H33N/c1-21(2)33(27-18-22(3)17-23(4)19-27)26-14-11-24(12-15-26)25-13-16-29-28-9-7-8-10-30(28)32(5,6)31(29)20-25/h7-21H,1-6H3
InChIKeyRKOUXQXFIZQWPC-UHFFFAOYSA-N
MW431.62 g/mol
LogP8.82
Rot. Bonds4

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline (PubChem CID 59307879) has the molecular formula C32H33N and a molecular weight of 431.62 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline
PubChem CID59307879
Molecular FormulaC32H33N
Molecular Weight431.62 g/mol
Exact Mass431.26
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline
SMILESCc1cc(C)cc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)C(C)C)c1
InChIInChI=1S/C32H33N/c1-21(2)33(27-18-22(3)17-23(4)19-27)26-14-11-24(12-15-26)25-13-16-29-28-9-7-8-10-30(28)32(5,6)31(29)20-25/h7-21H,1-6H3
InChIKeyRKOUXQXFIZQWPC-UHFFFAOYSA-N
XLogP8.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline
CID 59307898
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane
CID 143983290
9,9-dimethyl-N,7-diphenyl-N-propan-2-ylfluoren-2-amine
CID 134509907
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenyl-N-propan-2-ylaniline
CID 134551611
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
9,9-dimethyl-N-[1-(4-methylphenyl)ethyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135293630
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylfluoren-2-amine;9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-propan-2-ylfluoren-2-amine
CID 158936779

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline (CID 59307879) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline is Cc1cc(C)cc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)C(C)C)c1.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline?
The InChIKey is RKOUXQXFIZQWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N/c1-21(2)33(27-18-22(3)17-23(4)19-27)26-14-11-24(12-15-26)25-13-16-29-28-9-7-8-10-30(28)32(5,6)31(29)20-25/h7-21H,1-6H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline has a molecular weight of 431.62 g/mol, XLogP of 8.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline is sourced from PubChem (CID 59307879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).