N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine

C30H29N — CID 130353860

IUPACN-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine
SMILESC=C1/C(=C\C=C\Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2C1(C)C
InChIInChI=1S/C30H29N/c1-20-22(23-11-6-8-14-26(23)29(20,2)3)13-10-18-31-21-16-17-25-24-12-7-9-15-27(24)30(4,5)28(25)19-21/h6-19,31H,1H2,2-5H3/b18-10+,22-13+
InChIKeyLIPXSOHTCBHPHA-ITRFBGBKSA-N
MW403.57 g/mol
LogP7.85
Rot. Bonds3

About N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine

N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine (PubChem CID 130353860) has the molecular formula C30H29N and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine
PubChem CID130353860
Molecular FormulaC30H29N
Molecular Weight403.57 g/mol
Exact Mass403.23
IUPAC NameN-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine
SMILESC=C1/C(=C\C=C\Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2C1(C)C
InChIInChI=1S/C30H29N/c1-20-22(23-11-6-8-14-26(23)29(20,2)3)13-10-18-31-21-16-17-25-24-12-7-9-15-27(24)30(4,5)28(25)19-21/h6-19,31H,1H2,2-5H3/b18-10+,22-13+
InChIKeyLIPXSOHTCBHPHA-ITRFBGBKSA-N
XLogP7.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine
CID 88942744
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene
CID 59027683
N-[(1E,3E,5E)-7-cycloprop-2-en-1-ylhepta-1,3,5-trienyl]-7-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-9,9-dimethylfluoren-2-amine
CID 142480784
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
N-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-9,9-dimethylfluoren-2-amine
CID 142541223
9,9-dimethyl-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 123399255
N-(9,9-dimethylfluoren-2-yl)-1-benzothiophen-2-amine
CID 142732036

Frequently Asked Questions

What is the IUPAC name of N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine (CID 130353860) is N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine is C=C1/C(=C\C=C\Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2C1(C)C.
What is the InChIKey of N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is LIPXSOHTCBHPHA-ITRFBGBKSA-N. The full InChI is InChI=1S/C30H29N/c1-20-22(23-11-6-8-14-26(23)29(20,2)3)13-10-18-31-21-16-17-25-24-12-7-9-15-27(24)30(4,5)28(25)19-21/h6-19,31H,1H2,2-5H3/b18-10+,22-13+.
What are the key properties of N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine?
N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 403.57 g/mol, XLogP of 7.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 130353860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).