N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine

C32H35N — CID 143938134

IUPACN-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine
SMILESC=CC(/C=C/c1ccc2c(c1)C(C)(C)c1cc(Nc3ccc(CC)c(CC)c3)ccc1-2)=C\C
InChIInChI=1S/C32H35N/c1-7-22(8-2)11-12-23-13-17-28-29-18-16-27(21-31(29)32(5,6)30(28)19-23)33-26-15-14-24(9-3)25(10-4)20-26/h7-8,11-21,33H,1,9-10H2,2-6H3/b12-11+,22-8+
InChIKeyALKFKYVDECSWSA-BVIJOURBSA-N
MW433.64 g/mol
LogP9.01
Rot. Bonds7

About N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine

N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine (PubChem CID 143938134) has the molecular formula C32H35N and a molecular weight of 433.64 g/mol. Its IUPAC name is N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine
PubChem CID143938134
Molecular FormulaC32H35N
Molecular Weight433.64 g/mol
Exact Mass433.28
IUPAC NameN-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine
SMILESC=CC(/C=C/c1ccc2c(c1)C(C)(C)c1cc(Nc3ccc(CC)c(CC)c3)ccc1-2)=C\C
InChIInChI=1S/C32H35N/c1-7-22(8-2)11-12-23-13-17-28-29-18-16-27(21-31(29)32(5,6)30(28)19-23)33-26-15-14-24(9-3)25(10-4)20-26/h7-8,11-21,33H,1,9-10H2,2-6H3/b12-11+,22-8+
InChIKeyALKFKYVDECSWSA-BVIJOURBSA-N
XLogP9.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
CID 169461084
2,9,9-trimethyl-7-[(E)-prop-1-enyl]fluorene
CID 20593657
[4-[(7,9,9-trimethylfluoren-2-yl)amino]phenyl]methanol
CID 170093919
(E)-3-[9,9-dimethyl-7-[(1Z,3Z)-3-methylpenta-1,3-dienyl]fluoren-3-yl]-2-methylprop-2-enal
CID 144597281
7-ethenyl-9,9-dimethyl-N-[4-[4-(naphthalen-1-ylamino)phenyl]phenyl]fluoren-2-amine
CID 142734200
N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-9,9-dimethylfluoren-2-amine
CID 129111188
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
N-[1,2-bis(ethenyl)-3,3-dimethylinden-5-yl]-9,9-dimethylfluoren-2-amine
CID 142541223
4-(9,9-dimethylfluoren-2-yl)but-3-enamide
CID 170798912
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine (CID 143938134) is N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine is C=CC(/C=C/c1ccc2c(c1)C(C)(C)c1cc(Nc3ccc(CC)c(CC)c3)ccc1-2)=C\C.
What is the InChIKey of N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is ALKFKYVDECSWSA-BVIJOURBSA-N. The full InChI is InChI=1S/C32H35N/c1-7-22(8-2)11-12-23-13-17-28-29-18-16-27(21-31(29)32(5,6)30(28)19-23)33-26-15-14-24(9-3)25(10-4)20-26/h7-8,11-21,33H,1,9-10H2,2-6H3/b12-11+,22-8+.
What are the key properties of N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine?
N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 433.64 g/mol, XLogP of 9.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethylphenyl)-7-[(1E,3E)-3-ethenylpenta-1,3-dienyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 143938134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).