2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole

C84H53BrN4O2 — CID 158679971

IUPAC2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESBrc1ccc2oc3ccccc3c2c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H26N2O.C30H20N2.C12H7BrO/c1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-24-27(18-21-39(34)43)28-19-22-40-35(25-28)32-13-5-8-16-38(32)44(40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)45-42;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-26H;1-19,31H;1-7H
InChIKeyIEZKTQLXKALDKQ-UHFFFAOYSA-N
MW1230.28 g/mol
LogP23.88
Rot. Bonds5

About 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole

2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 158679971) has the molecular formula C84H53BrN4O2 and a molecular weight of 1230.28 g/mol. Its IUPAC name is 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID158679971
Molecular FormulaC84H53BrN4O2
Molecular Weight1230.28 g/mol
Exact Mass1228.34
IUPAC Name2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESBrc1ccc2oc3ccccc3c2c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C42H26N2O.C30H20N2.C12H7BrO/c1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-24-27(18-21-39(34)43)28-19-22-40-35(25-28)32-13-5-8-16-38(32)44(40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)45-42;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-26H;1-19,31H;1-7H
InChIKeyIEZKTQLXKALDKQ-UHFFFAOYSA-N
XLogP23.88
TPSA56.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001230.28
LogP ≤ 523.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(8-Bromodibenzo[b,d]furan-2-yl)-9H-carbazole
CID 57544042
2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
3,6-Di(carbazol-9-yl)-9-(8-fluorodibenzofuran-2-yl)carbazole
CID 89505208
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
CID 126764261
3-Methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 134337708
9-(8-Carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
CID 134343512
3-(8-Carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
CID 134343652
3-(Trifluoromethyl)-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 134343726
3-[9-Dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole
CID 137420869
6,24-Bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
CID 138736933

Frequently Asked Questions

What is the IUPAC name of 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole (CID 158679971) is 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole is Brc1ccc2oc3ccccc3c2c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is IEZKTQLXKALDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O.C30H20N2.C12H7BrO/c1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-24-27(18-21-39(34)43)28-19-22-40-35(25-28)32-13-5-8-16-38(32)44(40)30-20-23-42-36(26-30)33-14-6-9-17-41(33)45-42;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-26H;1-19,31H;1-7H.
What are the key properties of 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole?
2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 1230.28 g/mol, XLogP of 23.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromodibenzofuran;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 158679971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).