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

C30H41N3 — CID 161085872

IUPAC4-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
SMILESCCN(CC)c1c2c(c(C3C=CC=C3)c(N(CC)CC)c1N(CC)CC)-c1ccccc1C2
InChIInChI=1S/C30H41N3/c1-7-31(8-2)28-25-21-23-19-15-16-20-24(23)27(25)26(22-17-13-14-18-22)29(32(9-3)10-4)30(28)33(11-5)12-6/h13-20,22H,7-12,21H2,1-6H3
InChIKeyUGMQUIAXIFEUDI-UHFFFAOYSA-N
MW443.68 g/mol
LogP7.01
Rot. Bonds10

About 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

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 (PubChem CID 161085872) 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,1-N,2-N,2-N,3-N,3-N-hexaethyl-9H-fluorene-1,2,3-triamine.

Molecular Properties

Compound Name4-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
PubChem CID161085872
Molecular FormulaC30H41N3
Molecular Weight443.68 g/mol
Exact Mass443.33
IUPAC Name4-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
SMILESCCN(CC)c1c2c(c(C3C=CC=C3)c(N(CC)CC)c1N(CC)CC)-c1ccccc1C2
InChIInChI=1S/C30H41N3/c1-7-31(8-2)28-25-21-23-19-15-16-20-24(23)27(25)26(22-17-13-14-18-22)29(32(9-3)10-4)30(28)33(11-5)12-6/h13-20,22H,7-12,21H2,1-6H3
InChIKeyUGMQUIAXIFEUDI-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'}

Analyze 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 with MolForge

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Related Compounds

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
1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate
CID 175851638
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
2-cyclopenta-2,4-dien-1-yl-1-(2,2-diphenylpropyl)-9H-fluorene
CID 141027478
1,4-bis(4-ethylphenyl)-9H-fluorene
CID 101426750
lithium 2-cyclopenta-2,4-dien-1-yl-1,9-dihydrofluoren-1-ide
CID 161283415
ethanamine;9H-fluorene
CID 158316259
1-(3-propyl-7aH-inden-1-yl)-9H-fluorene
CID 173264164
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine
CID 14265487
3,4-dibromo-1,2-dihexyl-9H-fluorene
CID 23031046

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)c1c2c(c(C3C=CC=C3)c(N(CC)CC)c1N(CC)CC)-c1ccccc1C2.
What is the InChIKey of 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?
The InChIKey is UGMQUIAXIFEUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3/c1-7-31(8-2)28-25-21-23-19-15-16-20-24(23)27(25)26(22-17-13-14-18-22)29(32(9-3)10-4)30(28)33(11-5)12-6/h13-20,22H,7-12,21H2,1-6H3.
What are the key properties of 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?
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 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,1-N,2-N,2-N,3-N,3-N-hexaethyl-9H-fluorene-1,2,3-triamine is sourced from PubChem (CID 161085872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).