2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole

C30H20BrNO — CID 146490576

IUPAC2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole
SMILESBrc1ccc2c3ccccc3n(C3=CC=C(c4ccccc4)C4c5ccccc5OC34)c2c1
InChIInChI=1S/C30H20BrNO/c31-20-14-15-23-22-10-4-6-12-25(22)32(27(23)18-20)26-17-16-21(19-8-2-1-3-9-19)29-24-11-5-7-13-28(24)33-30(26)29/h1-18,29-30H
InChIKeyPTHDGFZJDGPOBS-UHFFFAOYSA-N
MW490.40 g/mol
LogP8.04
Rot. Bonds2

About 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole

2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole (PubChem CID 146490576) has the molecular formula C30H20BrNO and a molecular weight of 490.40 g/mol. Its IUPAC name is 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole
PubChem CID146490576
Molecular FormulaC30H20BrNO
Molecular Weight490.40 g/mol
Exact Mass489.07
IUPAC Name2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole
SMILESBrc1ccc2c3ccccc3n(C3=CC=C(c4ccccc4)C4c5ccccc5OC34)c2c1
InChIInChI=1S/C30H20BrNO/c31-20-14-15-23-22-10-4-6-12-25(22)32(27(23)18-20)26-17-16-21(19-8-2-1-3-9-19)29-24-11-5-7-13-28(24)33-30(26)29/h1-18,29-30H
InChIKeyPTHDGFZJDGPOBS-UHFFFAOYSA-N
XLogP8.04
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.40
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole?
The IUPAC name of 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole (CID 146490576) is 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole.
What is the SMILES notation for 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole?
The canonical SMILES for 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole is Brc1ccc2c3ccccc3n(C3=CC=C(c4ccccc4)C4c5ccccc5OC34)c2c1.
What is the InChIKey of 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole?
The InChIKey is PTHDGFZJDGPOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrNO/c31-20-14-15-23-22-10-4-6-12-25(22)32(27(23)18-20)26-17-16-21(19-8-2-1-3-9-19)29-24-11-5-7-13-28(24)33-30(26)29/h1-18,29-30H.
What are the key properties of 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole?
2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole has a molecular weight of 490.40 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(1-phenyl-4a,9b-dihydrodibenzofuran-4-yl)carbazole is sourced from PubChem (CID 146490576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).