1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole

C18H30N2 — CID 45075633

IUPAC1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole
SMILESC1CCC2C(C1)NC1CC3C(CC12)NC1CCCCC13
InChIInChI=1S/C18H30N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h11-20H,1-10H2
InChIKeyUNSMSXNELFXAHQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.07
Rot. Bonds

About 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole

1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole (PubChem CID 45075633) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole
PubChem CID45075633
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole
SMILESC1CCC2C(C1)NC1CC3C(CC12)NC1CCCCC13
InChIInChI=1S/C18H30N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h11-20H,1-10H2
InChIKeyUNSMSXNELFXAHQ-UHFFFAOYSA-N
XLogP3.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole?
The IUPAC name of 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole (CID 45075633) is 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole?
The canonical SMILES for 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole is C1CCC2C(C1)NC1CC3C(CC12)NC1CCCCC13.
What is the InChIKey of 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole?
The InChIKey is UNSMSXNELFXAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h11-20H,1-10H2.
What are the key properties of 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole?
1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole has a molecular weight of 274.45 g/mol, XLogP of 3.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6,6a,6b,7,8,9,10,10a,11,11a,12,12a,12b-icosahydroindolo[3,2-b]carbazole is sourced from PubChem (CID 45075633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).