7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane

C25H31NO — CID 91467220

IUPAC7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane
SMILESCC.Cc1c(C)c(C)c2c3c(cc(O)c2c1C)C(N(C)C)c1ccccc1-3
InChIInChI=1S/C23H25NO.C2H6/c1-12-13(2)15(4)21-20(14(12)3)19(25)11-18-22(21)16-9-7-8-10-17(16)23(18)24(5)6;1-2/h7-11,23,25H,1-6H3;1-2H3
InChIKeyGULQQHWMYIRMAS-UHFFFAOYSA-N
MW361.53 g/mol
LogP6.44
Rot. Bonds1

About 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane

7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane (PubChem CID 91467220) has the molecular formula C25H31NO and a molecular weight of 361.53 g/mol. Its IUPAC name is 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane.

Molecular Properties

Compound Name7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane
PubChem CID91467220
Molecular FormulaC25H31NO
Molecular Weight361.53 g/mol
Exact Mass361.24
IUPAC Name7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane
SMILESCC.Cc1c(C)c(C)c2c3c(cc(O)c2c1C)C(N(C)C)c1ccccc1-3
InChIInChI=1S/C23H25NO.C2H6/c1-12-13(2)15(4)21-20(14(12)3)19(25)11-18-22(21)16-9-7-8-10-17(16)23(18)24(5)6;1-2/h7-11,23,25H,1-6H3;1-2H3
InChIKeyGULQQHWMYIRMAS-UHFFFAOYSA-N
XLogP6.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane?
The IUPAC name of 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane (CID 91467220) is 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane.
What is the SMILES notation for 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane?
The canonical SMILES for 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane is CC.Cc1c(C)c(C)c2c3c(cc(O)c2c1C)C(N(C)C)c1ccccc1-3.
What is the InChIKey of 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane?
The InChIKey is GULQQHWMYIRMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO.C2H6/c1-12-13(2)15(4)21-20(14(12)3)19(25)11-18-22(21)16-9-7-8-10-17(16)23(18)24(5)6;1-2/h7-11,23,25H,1-6H3;1-2H3.
What are the key properties of 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane?
7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane has a molecular weight of 361.53 g/mol, XLogP of 6.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane is sourced from PubChem (CID 91467220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).