9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium

C49H29Br2INO2+ — CID 161102177

IUPAC9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium
SMILESBrc1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.Brc1ccc2oc3ccc(I)cc3c2c1.[C+]1=CC2=C(C=C1)c1ccccc1C2
InChIInChI=1S/C24H14BrNO.C13H9.C12H6BrIO/c25-15-9-11-23-19(13-15)20-14-16(10-12-24(20)27-23)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-14H;1,3-8H,9H2;1-6H/q;+1;
InChIKeyUIOPWONPQQGEQJ-UHFFFAOYSA-N
MW950.49 g/mol
LogP15.32
Rot. Bonds1

About 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium

9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium (PubChem CID 161102177) has the molecular formula C49H29Br2INO2+ and a molecular weight of 950.49 g/mol. Its IUPAC name is 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium.

Molecular Properties

Compound Name9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium
PubChem CID161102177
Molecular FormulaC49H29Br2INO2+
Molecular Weight950.49 g/mol
Exact Mass947.96
IUPAC Name9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium
SMILESBrc1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.Brc1ccc2oc3ccc(I)cc3c2c1.[C+]1=CC2=C(C=C1)c1ccccc1C2
InChIInChI=1S/C24H14BrNO.C13H9.C12H6BrIO/c25-15-9-11-23-19(13-15)20-14-16(10-12-24(20)27-23)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-14H;1,3-8H,9H2;1-6H/q;+1;
InChIKeyUIOPWONPQQGEQJ-UHFFFAOYSA-N
XLogP15.32
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.49
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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-[8-[6-(8-carbazol-9-yldibenzofuran-2-yl)-9H-fluoren-3-yl]dibenzofuran-2-yl]carbazole
CID 143456606
5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole
CID 159643988
3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6-(6-bromo-9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-3-yl]-6-bromo-9-dibenzofuran-2-ylcarbazole
CID 90347889
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-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole
CID 58536445
5-(8-carbazol-9-yldibenzofuran-2-yl)cyclohepta[b]indole
CID 144687418
9-dibenzofuran-2-yl-3-(9,10-dihydrophenanthren-3-yl)carbazole
CID 129200556
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole
CID 163545448
9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147302

Frequently Asked Questions

What is the IUPAC name of 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium?
The IUPAC name of 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium (CID 161102177) is 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium.
What is the SMILES notation for 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium?
The canonical SMILES for 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium is Brc1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.Brc1ccc2oc3ccc(I)cc3c2c1.[C+]1=CC2=C(C=C1)c1ccccc1C2.
What is the InChIKey of 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium?
The InChIKey is UIOPWONPQQGEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrNO.C13H9.C12H6BrIO/c25-15-9-11-23-19(13-15)20-14-16(10-12-24(20)27-23)26-21-7-3-1-5-17(21)18-6-2-4-8-22(18)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-14H;1,3-8H,9H2;1-6H/q;+1;.
What are the key properties of 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium?
9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium has a molecular weight of 950.49 g/mol, XLogP of 15.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium is sourced from PubChem (CID 161102177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).