6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole

C34H24N2O2 — CID 102141091

IUPAC6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole
SMILESCOc1c(-c2c(OC)c3c4ccccc4[nH]c3c3ccccc23)c2ccccc2c2[nH]c3ccccc3c12
InChIInChI=1S/C34H24N2O2/c1-37-33-27(19-11-3-5-13-21(19)31-29(33)23-15-7-9-17-25(23)35-31)28-20-12-4-6-14-22(20)32-30(34(28)38-2)24-16-8-10-18-26(24)36-32/h3-18,35-36H,1-2H3
InChIKeyDERKFJULCGADJW-UHFFFAOYSA-N
MW492.58 g/mol
LogP8.95
Rot. Bonds3

About 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole

6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole (PubChem CID 102141091) has the molecular formula C34H24N2O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole.

Molecular Properties

Compound Name6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole
PubChem CID102141091
Molecular FormulaC34H24N2O2
Molecular Weight492.58 g/mol
Exact Mass492.18
IUPAC Name6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole
SMILESCOc1c(-c2c(OC)c3c4ccccc4[nH]c3c3ccccc23)c2ccccc2c2[nH]c3ccccc3c12
InChIInChI=1S/C34H24N2O2/c1-37-33-27(19-11-3-5-13-21(19)31-29(33)23-15-7-9-17-25(23)35-31)28-20-12-4-6-14-22(20)32-30(34(28)38-2)24-16-8-10-18-26(24)36-32/h3-18,35-36H,1-2H3
InChIKeyDERKFJULCGADJW-UHFFFAOYSA-N
XLogP8.95
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole?
The IUPAC name of 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole (CID 102141091) is 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole.
What is the SMILES notation for 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole?
The canonical SMILES for 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole is COc1c(-c2c(OC)c3c4ccccc4[nH]c3c3ccccc23)c2ccccc2c2[nH]c3ccccc3c12.
What is the InChIKey of 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole?
The InChIKey is DERKFJULCGADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O2/c1-37-33-27(19-11-3-5-13-21(19)31-29(33)23-15-7-9-17-25(23)35-31)28-20-12-4-6-14-22(20)32-30(34(28)38-2)24-16-8-10-18-26(24)36-32/h3-18,35-36H,1-2H3.
What are the key properties of 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole?
6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole has a molecular weight of 492.58 g/mol, XLogP of 8.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(6-methoxy-11H-benzo[a]carbazol-5-yl)-11H-benzo[a]carbazole is sourced from PubChem (CID 102141091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).