9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole

C25H16BrNO — CID 163843393

IUPAC9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole
SMILESCc1ccc2c(oc3ccc(-n4c5ccccc5c5ccccc54)cc32)c1Br
InChIInChI=1S/C25H16BrNO/c1-15-10-12-19-20-14-16(11-13-23(20)28-25(19)24(15)26)27-21-8-4-2-6-17(21)18-7-3-5-9-22(18)27/h2-14H,1H3
InChIKeyONZYIROVXKNXOK-UHFFFAOYSA-N
MW426.31 g/mol
LogP7.75
Rot. Bonds1

About 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole

9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole (PubChem CID 163843393) has the molecular formula C25H16BrNO and a molecular weight of 426.31 g/mol. Its IUPAC name is 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole
PubChem CID163843393
Molecular FormulaC25H16BrNO
Molecular Weight426.31 g/mol
Exact Mass425.04
IUPAC Name9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole
SMILESCc1ccc2c(oc3ccc(-n4c5ccccc5c5ccccc54)cc32)c1Br
InChIInChI=1S/C25H16BrNO/c1-15-10-12-19-20-14-16(11-13-23(20)28-25(19)24(15)26)27-21-8-4-2-6-17(21)18-7-3-5-9-22(18)27/h2-14H,1H3
InChIKeyONZYIROVXKNXOK-UHFFFAOYSA-N
XLogP7.75
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
9-(5-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)carbazole
CID 59147021
9-(16-carbazol-9-yl-11,12-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147144
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-2-(4-methylphenyl)carbazole
CID 146647660
9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole
CID 59147172
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461

Frequently Asked Questions

What is the IUPAC name of 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole?
The IUPAC name of 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole (CID 163843393) is 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole?
The canonical SMILES for 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole is Cc1ccc2c(oc3ccc(-n4c5ccccc5c5ccccc54)cc32)c1Br.
What is the InChIKey of 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole?
The InChIKey is ONZYIROVXKNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrNO/c1-15-10-12-19-20-14-16(11-13-23(20)28-25(19)24(15)26)27-21-8-4-2-6-17(21)18-7-3-5-9-22(18)27/h2-14H,1H3.
What are the key properties of 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole?
9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole has a molecular weight of 426.31 g/mol, XLogP of 7.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 163843393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).