N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane

C32H35N — CID 143983290

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane
SMILESCC.Cc1cc(C)cc(N(C)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1
InChIInChI=1S/C30H29N.C2H6/c1-20-16-21(2)18-25(17-20)31(5)24-13-10-22(11-14-24)23-12-15-27-26-8-6-7-9-28(26)30(3,4)29(27)19-23;1-2/h6-19H,1-5H3;1-2H3
InChIKeyLNAMFUBSRCRXFB-UHFFFAOYSA-N
MW433.64 g/mol
LogP9.07
Rot. Bonds3

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane (PubChem CID 143983290) has the molecular formula C32H35N and a molecular weight of 433.64 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane
PubChem CID143983290
Molecular FormulaC32H35N
Molecular Weight433.64 g/mol
Exact Mass433.28
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane
SMILESCC.Cc1cc(C)cc(N(C)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1
InChIInChI=1S/C30H29N.C2H6/c1-20-16-21(2)18-25(17-20)31(5)24-13-10-22(11-14-24)23-12-15-27-26-8-6-7-9-28(26)30(3,4)29(27)19-23;1-2/h6-19H,1-5H3;1-2H3
InChIKeyLNAMFUBSRCRXFB-UHFFFAOYSA-N
XLogP9.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline
CID 59307879
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N,9,9-trimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166028533
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
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]-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-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane (CID 143983290) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane is CC.Cc1cc(C)cc(N(C)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c1.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane?
The InChIKey is LNAMFUBSRCRXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N.C2H6/c1-20-16-21(2)18-25(17-20)31(5)24-13-10-22(11-14-24)23-12-15-27-26-8-6-7-9-28(26)30(3,4)29(27)19-23;1-2/h6-19H,1-5H3;1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,3,5-trimethylaniline;ethane has a molecular weight of 433.64 g/mol, XLogP of 9.07, 3 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]-N,3,5-trimethylaniline;ethane is sourced from PubChem (CID 143983290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).