3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline

C29H27N — CID 145412765

IUPAC3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline
SMILESC=CC(C=C)=C(C)C1(C(=C)C)c2ccccc2-c2ccc(-c3cccc(N)c3)cc21
InChIInChI=1S/C29H27N/c1-6-21(7-2)20(5)29(19(3)4)27-14-9-8-13-25(27)26-16-15-23(18-28(26)29)22-11-10-12-24(30)17-22/h6-18H,1-3,30H2,4-5H3
InChIKeySKWAGSZUNNDRFB-UHFFFAOYSA-N
MW389.54 g/mol
LogP7.47
Rot. Bonds5

About 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline

3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline (PubChem CID 145412765) has the molecular formula C29H27N and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline.

Molecular Properties

Compound Name3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline
PubChem CID145412765
Molecular FormulaC29H27N
Molecular Weight389.54 g/mol
Exact Mass389.21
IUPAC Name3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline
SMILESC=CC(C=C)=C(C)C1(C(=C)C)c2ccccc2-c2ccc(-c3cccc(N)c3)cc21
InChIInChI=1S/C29H27N/c1-6-21(7-2)20(5)29(19(3)4)27-14-9-8-13-25(27)26-16-15-23(18-28(26)29)22-11-10-12-24(30)17-22/h6-18H,1-3,30H2,4-5H3
InChIKeySKWAGSZUNNDRFB-UHFFFAOYSA-N
XLogP7.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-buta-1,3-dien-2-ylphenyl)-9,9'-spirobi[fluorene]
CID 153369042
9,9-dimethyl-2-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]fluorene
CID 153369031
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 121321489
3-(3-aminophenyl)aniline;sulfane
CID 175159845
2-[3-[3-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]phenyl]phenyl]-9,9-bis[(2Z)-penta-2,4-dien-2-yl]fluorene
CID 145412837
aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene
CID 142504400
9-[(2E,4Z)-hexa-2,4-dien-3-yl]-9-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-2-phenylfluorene
CID 167484417
3-[7'-(3-aminophenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-yl]aniline
CID 164946481
2-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]-9,9'-spirobi[fluorene]
CID 144925252
20'-(3-triphenylen-2-ylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 159754407
3-[2-(2-phenylphenyl)phenyl]aniline
CID 172502206

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline?
The IUPAC name of 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline (CID 145412765) is 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline.
What is the SMILES notation for 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline?
The canonical SMILES for 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline is C=CC(C=C)=C(C)C1(C(=C)C)c2ccccc2-c2ccc(-c3cccc(N)c3)cc21.
What is the InChIKey of 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline?
The InChIKey is SKWAGSZUNNDRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N/c1-6-21(7-2)20(5)29(19(3)4)27-14-9-8-13-25(27)26-16-15-23(18-28(26)29)22-11-10-12-24(30)17-22/h6-18H,1-3,30H2,4-5H3.
What are the key properties of 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline?
3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline has a molecular weight of 389.54 g/mol, XLogP of 7.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-ethenylpenta-2,4-dien-2-yl)-9-prop-1-en-2-ylfluoren-2-yl]aniline is sourced from PubChem (CID 145412765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).