5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole

C43H61FN2 — CID 67991343

IUPAC5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
SMILESCCCCCCCCCCCCn1c2ccc(C)cc2c2cc3c(cc21)c1cc(F)ccc1n3CCCCCCCCCCCC
InChIInChI=1S/C43H61FN2/c1-4-6-8-10-12-14-16-18-20-22-28-45-40-26-24-34(3)30-36(40)38-32-43-39(33-42(38)45)37-31-35(44)25-27-41(37)46(43)29-23-21-19-17-15-13-11-9-7-5-2/h24-27,30-33H,4-23,28-29H2,1-3H3
InChIKeyMTAOIFOKGRZJSC-UHFFFAOYSA-N
MW624.97 g/mol
LogP14.19
Rot. Bonds22

About 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole

5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole (PubChem CID 67991343) has the molecular formula C43H61FN2 and a molecular weight of 624.97 g/mol. Its IUPAC name is 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
PubChem CID67991343
Molecular FormulaC43H61FN2
Molecular Weight624.97 g/mol
Exact Mass624.48
IUPAC Name5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
SMILESCCCCCCCCCCCCn1c2ccc(C)cc2c2cc3c(cc21)c1cc(F)ccc1n3CCCCCCCCCCCC
InChIInChI=1S/C43H61FN2/c1-4-6-8-10-12-14-16-18-20-22-28-45-40-26-24-34(3)30-36(40)38-32-43-39(33-42(38)45)37-31-35(44)25-27-41(37)46(43)29-23-21-19-17-15-13-11-9-7-5-2/h24-27,30-33H,4-23,28-29H2,1-3H3
InChIKeyMTAOIFOKGRZJSC-UHFFFAOYSA-N
XLogP14.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.97
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 144783629
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CID 146671988
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CID 136952103
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Frequently Asked Questions

What is the IUPAC name of 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole?
The IUPAC name of 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole (CID 67991343) is 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole is CCCCCCCCCCCCn1c2ccc(C)cc2c2cc3c(cc21)c1cc(F)ccc1n3CCCCCCCCCCCC.
What is the InChIKey of 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole?
The InChIKey is MTAOIFOKGRZJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H61FN2/c1-4-6-8-10-12-14-16-18-20-22-28-45-40-26-24-34(3)30-36(40)38-32-43-39(33-42(38)45)37-31-35(44)25-27-41(37)46(43)29-23-21-19-17-15-13-11-9-7-5-2/h24-27,30-33H,4-23,28-29H2,1-3H3.
What are the key properties of 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole?
5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole has a molecular weight of 624.97 g/mol, XLogP of 14.19, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole is sourced from PubChem (CID 67991343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).