3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole

C27H25NO — CID 70912927

IUPAC3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole
SMILESCC(C)n1c2c(c3ccccc31)C=C(C1=Cc3c(oc4ccccc34)CC1)CC2
InChIInChI=1S/C27H25NO/c1-17(2)28-24-9-5-3-7-20(24)22-15-18(11-13-25(22)28)19-12-14-27-23(16-19)21-8-4-6-10-26(21)29-27/h3-10,15-17H,11-14H2,1-2H3
InChIKeyJPTXJLGKAWWEGF-UHFFFAOYSA-N
MW379.50 g/mol
LogP7.33
Rot. Bonds2

About 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole

3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole (PubChem CID 70912927) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole
PubChem CID70912927
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole
SMILESCC(C)n1c2c(c3ccccc31)C=C(C1=Cc3c(oc4ccccc34)CC1)CC2
InChIInChI=1S/C27H25NO/c1-17(2)28-24-9-5-3-7-20(24)22-15-18(11-13-25(22)28)19-12-14-27-23(16-19)21-8-4-6-10-26(21)29-27/h3-10,15-17H,11-14H2,1-2H3
InChIKeyJPTXJLGKAWWEGF-UHFFFAOYSA-N
XLogP7.33
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole?
The IUPAC name of 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole (CID 70912927) is 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole.
What is the SMILES notation for 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole?
The canonical SMILES for 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole is CC(C)n1c2c(c3ccccc31)C=C(C1=Cc3c(oc4ccccc34)CC1)CC2.
What is the InChIKey of 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole?
The InChIKey is JPTXJLGKAWWEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO/c1-17(2)28-24-9-5-3-7-20(24)22-15-18(11-13-25(22)28)19-12-14-27-23(16-19)21-8-4-6-10-26(21)29-27/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole?
3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole has a molecular weight of 379.50 g/mol, XLogP of 7.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydrodibenzofuran-2-yl)-9-propan-2-yl-1,2-dihydrocarbazole is sourced from PubChem (CID 70912927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).