N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine

C31H31N — CID 129111188

IUPACN-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
SMILESC=CC1=C(/C=C\C)C(C)(C)c2cc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C31H31N/c1-7-11-26-22(8-2)24-16-14-20(18-28(24)30(26,3)4)32-21-15-17-25-23-12-9-10-13-27(23)31(5,6)29(25)19-21/h7-19,32H,2H2,1,3-6H3/b11-7-
InChIKeyNWFPWGZRDYZPBO-XFFZJAGNSA-N
MW417.60 g/mol
LogP8.54
Rot. Bonds4

About N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine

N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 129111188) has the molecular formula C31H31N and a molecular weight of 417.60 g/mol. Its IUPAC name is N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
PubChem CID129111188
Molecular FormulaC31H31N
Molecular Weight417.60 g/mol
Exact Mass417.25
IUPAC NameN-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
SMILESC=CC1=C(/C=C\C)C(C)(C)c2cc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C31H31N/c1-7-11-26-22(8-2)24-16-14-20(18-28(24)30(26,3)4)32-21-15-17-25-23-12-9-10-13-27(23)31(5,6)29(25)19-21/h7-19,32H,2H2,1,3-6H3/b11-7-
InChIKeyNWFPWGZRDYZPBO-XFFZJAGNSA-N
XLogP8.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine (CID 129111188) is N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine is C=CC1=C(/C=C\C)C(C)(C)c2cc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine?
The InChIKey is NWFPWGZRDYZPBO-XFFZJAGNSA-N. The full InChI is InChI=1S/C31H31N/c1-7-11-26-22(8-2)24-16-14-20(18-28(24)30(26,3)4)32-21-15-17-25-23-12-9-10-13-27(23)31(5,6)29(25)19-21/h7-19,32H,2H2,1,3-6H3/b11-7-.
What are the key properties of N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine?
N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 417.60 g/mol, XLogP of 8.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 129111188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).