5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole

C32H28N2O2 — CID 177381779

IUPAC5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
SMILESCOc1cc(C)c(Cc2cc3c([nH]c4ccccc43)c3c2OC(C)(C)C=C3)c2c1[nH]c1ccccc12
InChIInChI=1S/C32H28N2O2/c1-18-15-27(35-4)30-28(21-10-6-8-12-26(21)34-30)23(18)16-19-17-24-20-9-5-7-11-25(20)33-29(24)22-13-14-32(2,3)36-31(19)22/h5-15,17,33-34H,16H2,1-4H3
InChIKeyUVSDZDRMNYKHPU-UHFFFAOYSA-N
MW472.59 g/mol
LogP8.05
Rot. Bonds3

About 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole

5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole (PubChem CID 177381779) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
PubChem CID177381779
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
SMILESCOc1cc(C)c(Cc2cc3c([nH]c4ccccc43)c3c2OC(C)(C)C=C3)c2c1[nH]c1ccccc12
InChIInChI=1S/C32H28N2O2/c1-18-15-27(35-4)30-28(21-10-6-8-12-26(21)34-30)23(18)16-19-17-24-20-9-5-7-11-25(20)33-29(24)22-13-14-32(2,3)36-31(19)22/h5-15,17,33-34H,16H2,1-4H3
InChIKeyUVSDZDRMNYKHPU-UHFFFAOYSA-N
XLogP8.05
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole?
The IUPAC name of 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole (CID 177381779) is 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole.
What is the SMILES notation for 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole?
The canonical SMILES for 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole is COc1cc(C)c(Cc2cc3c([nH]c4ccccc43)c3c2OC(C)(C)C=C3)c2c1[nH]c1ccccc12.
What is the InChIKey of 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole?
The InChIKey is UVSDZDRMNYKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c1-18-15-27(35-4)30-28(21-10-6-8-12-26(21)34-30)23(18)16-19-17-24-20-9-5-7-11-25(20)33-29(24)22-13-14-32(2,3)36-31(19)22/h5-15,17,33-34H,16H2,1-4H3.
What are the key properties of 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole?
5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole has a molecular weight of 472.59 g/mol, XLogP of 8.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole is sourced from PubChem (CID 177381779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).