2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole

C46H24BrNO2 — CID 134301221

IUPAC2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole
SMILESBrc1cc(-c2ccc3c(c2)[nH]c2ccc(-c4ccc5oc6cc7c8c(cccc8c6c5c4)-c4ccccc4-7)cc23)c2oc3ccccc3c2c1
InChIInChI=1S/C46H24BrNO2/c47-27-21-34(46-37(22-27)31-8-3-4-11-41(31)50-46)26-12-15-30-35-18-24(13-16-39(35)48-40(30)20-26)25-14-17-42-38(19-25)45-33-10-5-9-32-28-6-1-2-7-29(28)36(44(32)33)23-43(45)49-42/h1-23,48H
InChIKeyROUPFTHKPZLTQR-UHFFFAOYSA-N
MW702.61 g/mol
LogP14.02
Rot. Bonds2

About 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole

2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole (PubChem CID 134301221) has the molecular formula C46H24BrNO2 and a molecular weight of 702.61 g/mol. Its IUPAC name is 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole.

Molecular Properties

Compound Name2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole
PubChem CID134301221
Molecular FormulaC46H24BrNO2
Molecular Weight702.61 g/mol
Exact Mass701.10
IUPAC Name2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole
SMILESBrc1cc(-c2ccc3c(c2)[nH]c2ccc(-c4ccc5oc6cc7c8c(cccc8c6c5c4)-c4ccccc4-7)cc23)c2oc3ccccc3c2c1
InChIInChI=1S/C46H24BrNO2/c47-27-21-34(46-37(22-27)31-8-3-4-11-41(31)50-46)26-12-15-30-35-18-24(13-16-39(35)48-40(30)20-26)25-14-17-42-38(19-25)45-33-10-5-9-32-28-6-1-2-7-29(28)36(44(32)33)23-43(45)49-42/h1-23,48H
InChIKeyROUPFTHKPZLTQR-UHFFFAOYSA-N
XLogP14.02
TPSA42.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.61
LogP ≤ 514.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole?
The IUPAC name of 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole (CID 134301221) is 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole.
What is the SMILES notation for 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole?
The canonical SMILES for 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole is Brc1cc(-c2ccc3c(c2)[nH]c2ccc(-c4ccc5oc6cc7c8c(cccc8c6c5c4)-c4ccccc4-7)cc23)c2oc3ccccc3c2c1.
What is the InChIKey of 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole?
The InChIKey is ROUPFTHKPZLTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24BrNO2/c47-27-21-34(46-37(22-27)31-8-3-4-11-41(31)50-46)26-12-15-30-35-18-24(13-16-39(35)48-40(30)20-26)25-14-17-42-38(19-25)45-33-10-5-9-32-28-6-1-2-7-29(28)36(44(32)33)23-43(45)49-42/h1-23,48H.
What are the key properties of 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole?
2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole has a molecular weight of 702.61 g/mol, XLogP of 14.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromodibenzofuran-4-yl)-6-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)-9H-carbazole is sourced from PubChem (CID 134301221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).