[2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate

C44H26N4O4 — CID 132575987

IUPAC[2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate
SMILESO=C(Oc1ccccc1OC(=O)c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21)c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21
InChIInChI=1S/C44H26N4O4/c49-43(23-13-15-27-31-19-17-29-25-7-1-3-9-33(25)45-39(29)41(31)47-35(27)21-23)51-37-11-5-6-12-38(37)52-44(50)24-14-16-28-32-20-18-30-26-8-2-4-10-34(26)46-40(30)42(32)48-36(28)22-24/h1-22,45-48H
InChIKeyWWDFBZIORJWMQV-UHFFFAOYSA-N
MW674.72 g/mol
LogP10.66
Rot. Bonds4

About [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate

[2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate (PubChem CID 132575987) has the molecular formula C44H26N4O4 and a molecular weight of 674.72 g/mol. Its IUPAC name is [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate.

Molecular Properties

Compound Name[2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate
PubChem CID132575987
Molecular FormulaC44H26N4O4
Molecular Weight674.72 g/mol
Exact Mass674.20
IUPAC Name[2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate
SMILESO=C(Oc1ccccc1OC(=O)c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21)c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21
InChIInChI=1S/C44H26N4O4/c49-43(23-13-15-27-31-19-17-29-25-7-1-3-9-33(25)45-39(29)41(31)47-35(27)21-23)51-37-11-5-6-12-38(37)52-44(50)24-14-16-28-32-20-18-30-26-8-2-4-10-34(26)46-40(30)42(32)48-36(28)22-24/h1-22,45-48H
InChIKeyWWDFBZIORJWMQV-UHFFFAOYSA-N
XLogP10.66
TPSA115.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.72
LogP ≤ 510.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate?
The IUPAC name of [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate (CID 132575987) is [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate.
What is the SMILES notation for [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate?
The canonical SMILES for [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate is O=C(Oc1ccccc1OC(=O)c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21)c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3[nH]c21.
What is the InChIKey of [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate?
The InChIKey is WWDFBZIORJWMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O4/c49-43(23-13-15-27-31-19-17-29-25-7-1-3-9-33(25)45-39(29)41(31)47-35(27)21-23)51-37-11-5-6-12-38(37)52-44(50)24-14-16-28-32-20-18-30-26-8-2-4-10-34(26)46-40(30)42(32)48-36(28)22-24/h1-22,45-48H.
What are the key properties of [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate?
[2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate has a molecular weight of 674.72 g/mol, XLogP of 10.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate is sourced from PubChem (CID 132575987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).