4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine

C30H41N3 — CID 161292169

IUPAC4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine
SMILESCCCN(C)c1c2c(c(C3C=CC=C3)c(N(C)CCC)c1N(C)CCC)-c1ccccc1C2
InChIInChI=1S/C30H41N3/c1-7-18-31(4)28-25-21-23-16-12-13-17-24(23)27(25)26(22-14-10-11-15-22)29(32(5)19-8-2)30(28)33(6)20-9-3/h10-17,22H,7-9,18-21H2,1-6H3
InChIKeyVGMPCZVLMPCWIA-UHFFFAOYSA-N
MW443.68 g/mol
LogP7.01
Rot. Bonds10

About 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine

4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine (PubChem CID 161292169) has the molecular formula C30H41N3 and a molecular weight of 443.68 g/mol. Its IUPAC name is 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine.

Molecular Properties

Compound Name4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine
PubChem CID161292169
Molecular FormulaC30H41N3
Molecular Weight443.68 g/mol
Exact Mass443.33
IUPAC Name4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine
SMILESCCCN(C)c1c2c(c(C3C=CC=C3)c(N(C)CCC)c1N(C)CCC)-c1ccccc1C2
InChIInChI=1S/C30H41N3/c1-7-18-31(4)28-25-21-23-16-12-13-17-24(23)27(25)26(22-14-10-11-15-22)29(32(5)19-8-2)30(28)33(6)20-9-3/h10-17,22H,7-9,18-21H2,1-6H3
InChIKeyVGMPCZVLMPCWIA-UHFFFAOYSA-N
XLogP7.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.68
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-cyclopenta-2,4-dien-1-yl-1-N,1-N,2-N,2-N,3-N,3-N-hexaethyl-9H-fluorene-1,2,3-triamine
CID 161085872
N,N-dimethylbutan-1-amine;9H-fluoren-1-ol
CID 67975331
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene
CID 123589804
bis(9H-fluorene);pentane
CID 159146463
1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate
CID 175851638
1-(3-propyl-7aH-inden-1-yl)-9H-fluorene
CID 173264164
3,4-dibromo-1,2-dihexyl-9H-fluorene
CID 23031046
bis(9H-fluorene);methane;pentane
CID 158815702
9H-fluorene;henicosane
CID 174789372
2-cyclopenta-2,4-dien-1-yl-1-(2,2-diphenylpropyl)-9H-fluorene
CID 141027478
N,N-didecyl-9H-fluoren-1-amine
CID 151349271
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839

Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine?
The IUPAC name of 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine (CID 161292169) is 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine.
What is the SMILES notation for 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine?
The canonical SMILES for 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine is CCCN(C)c1c2c(c(C3C=CC=C3)c(N(C)CCC)c1N(C)CCC)-c1ccccc1C2.
What is the InChIKey of 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine?
The InChIKey is VGMPCZVLMPCWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3/c1-7-18-31(4)28-25-21-23-16-12-13-17-24(23)27(25)26(22-14-10-11-15-22)29(32(5)19-8-2)30(28)33(6)20-9-3/h10-17,22H,7-9,18-21H2,1-6H3.
What are the key properties of 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine?
4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine has a molecular weight of 443.68 g/mol, XLogP of 7.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-2,4-dien-1-yl-1-N,2-N,3-N-trimethyl-1-N,2-N,3-N-tripropyl-9H-fluorene-1,2,3-triamine is sourced from PubChem (CID 161292169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).