6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one

C57H63FN6O2 — CID 91501180

IUPAC6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESCCN(CCc1cc(OC)cc2c1c1ccccc1n2CCN(CC)CCC1CC(=O)c2ccc3c(c21)c1ccccc1n3CCCN(C)C)CCn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C57H63FN6O2/c1-6-60(31-33-63-48-18-11-8-15-43(48)47-37-41(58)21-23-51(47)63)29-25-39-35-42(66-5)38-53-55(39)44-16-9-12-19-49(44)64(53)34-32-61(7-2)30-26-40-36-54(65)46-22-24-52-57(56(40)46)45-17-10-13-20-50(45)62(52)28-14-27-59(3)4/h8-13,15-24,35,37-38,40H,6-7,14,25-34,36H2,1-5H3
InChIKeyQUTVSHVFTRWGCP-UHFFFAOYSA-N
MW883.17 g/mol
LogP11.76
Rot. Bonds19

About 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one

6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one (PubChem CID 91501180) has the molecular formula C57H63FN6O2 and a molecular weight of 883.17 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
PubChem CID91501180
Molecular FormulaC57H63FN6O2
Molecular Weight883.17 g/mol
Exact Mass882.50
IUPAC Name6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESCCN(CCc1cc(OC)cc2c1c1ccccc1n2CCN(CC)CCC1CC(=O)c2ccc3c(c21)c1ccccc1n3CCCN(C)C)CCn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C57H63FN6O2/c1-6-60(31-33-63-48-18-11-8-15-43(48)47-37-41(58)21-23-51(47)63)29-25-39-35-42(66-5)38-53-55(39)44-16-9-12-19-49(44)64(53)34-32-61(7-2)30-26-40-36-54(65)46-22-24-52-57(56(40)46)45-17-10-13-20-50(45)62(52)28-14-27-59(3)4/h8-13,15-24,35,37-38,40H,6-7,14,25-34,36H2,1-5H3
InChIKeyQUTVSHVFTRWGCP-UHFFFAOYSA-N
XLogP11.76
TPSA50.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.17
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The IUPAC name of 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one (CID 91501180) is 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The canonical SMILES for 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one is CCN(CCc1cc(OC)cc2c1c1ccccc1n2CCN(CC)CCC1CC(=O)c2ccc3c(c21)c1ccccc1n3CCCN(C)C)CCn1c2ccccc2c2cc(F)ccc21.
What is the InChIKey of 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
The InChIKey is QUTVSHVFTRWGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H63FN6O2/c1-6-60(31-33-63-48-18-11-8-15-43(48)47-37-41(58)21-23-51(47)63)29-25-39-35-42(66-5)38-53-55(39)44-16-9-12-19-49(44)64(53)34-32-61(7-2)30-26-40-36-54(65)46-22-24-52-57(56(40)46)45-17-10-13-20-50(45)62(52)28-14-27-59(3)4/h8-13,15-24,35,37-38,40H,6-7,14,25-34,36H2,1-5H3.
What are the key properties of 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one?
6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one has a molecular weight of 883.17 g/mol, XLogP of 11.76, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]-1-[2-[ethyl-[2-[4-[2-[ethyl-[2-(3-fluorocarbazol-9-yl)ethyl]amino]ethyl]-2-methoxycarbazol-9-yl]ethyl]amino]ethyl]-1,2-dihydrocyclopenta[c]carbazol-3-one is sourced from PubChem (CID 91501180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).