3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole

C67H41Br2N3O2 — CID 90360686

IUPAC3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole
SMILESC=Cc1c(/C=C(\C)Br)c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(Br)ccc5n6-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccccc3)ccc2n1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C67H41Br2N3O2/c1-3-58-50(31-39(2)68)51-32-40(19-26-61(51)71(58)46-22-29-66-56(37-46)48-13-7-9-15-64(48)73-66)41-17-24-59-52(33-41)53-34-42(18-25-60(53)70(59)45-11-5-4-6-12-45)43-20-27-62-54(35-43)55-36-44(69)21-28-63(55)72(62)47-23-30-67-57(38-47)49-14-8-10-16-65(49)74-67/h3-38H,1H2,2H3/b39-31+
InChIKeyJIQQGCNLCMGOSI-KGHBKMJJSA-N
MW1079.89 g/mol
LogP20.12
Rot. Bonds7

About 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole

3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole (PubChem CID 90360686) has the molecular formula C67H41Br2N3O2 and a molecular weight of 1079.89 g/mol. Its IUPAC name is 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole
PubChem CID90360686
Molecular FormulaC67H41Br2N3O2
Molecular Weight1079.89 g/mol
Exact Mass1077.16
IUPAC Name3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole
SMILESC=Cc1c(/C=C(\C)Br)c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(Br)ccc5n6-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccccc3)ccc2n1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C67H41Br2N3O2/c1-3-58-50(31-39(2)68)51-32-40(19-26-61(51)71(58)46-22-29-66-56(37-46)48-13-7-9-15-64(48)73-66)41-17-24-59-52(33-41)53-34-42(18-25-60(53)70(59)45-11-5-4-6-12-45)43-20-27-62-54(35-43)55-36-44(69)21-28-63(55)72(62)47-23-30-67-57(38-47)49-14-8-10-16-65(49)74-67/h3-38H,1H2,2H3/b39-31+
InChIKeyJIQQGCNLCMGOSI-KGHBKMJJSA-N
XLogP20.12
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.89
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole?
The IUPAC name of 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole (CID 90360686) is 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole is C=Cc1c(/C=C(\C)Br)c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(Br)ccc5n6-c5ccc6oc7ccccc7c6c5)ccc3n4-c3ccccc3)ccc2n1-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole?
The InChIKey is JIQQGCNLCMGOSI-KGHBKMJJSA-N. The full InChI is InChI=1S/C67H41Br2N3O2/c1-3-58-50(31-39(2)68)51-32-40(19-26-61(51)71(58)46-22-29-66-56(37-46)48-13-7-9-15-64(48)73-66)41-17-24-59-52(33-41)53-34-42(18-25-60(53)70(59)45-11-5-4-6-12-45)43-20-27-62-54(35-43)55-36-44(69)21-28-63(55)72(62)47-23-30-67-57(38-47)49-14-8-10-16-65(49)74-67/h3-38H,1H2,2H3/b39-31+.
What are the key properties of 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole?
3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole has a molecular weight of 1079.89 g/mol, XLogP of 20.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[6-[3-[(E)-2-bromoprop-1-enyl]-1-dibenzofuran-2-yl-2-ethenylindol-5-yl]-9-phenylcarbazol-3-yl]-9-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 90360686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).