3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole

C66H43Br2N3O2 — CID 90360679

IUPAC3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole
SMILESBrc1ccc2c(c1)C1C=C(c3ccc4c(c3)C3C=C(c5ccc6c(c5)c5cc(Br)ccc5n6-c5ccc6oc7c(c6c5)CCC=C7)C=CC3N4c3ccccc3)C=CC1N2c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C66H43Br2N3O2/c67-42-18-26-61-53(34-42)51-32-40(16-24-59(51)70(61)45-20-28-65-55(36-45)47-10-4-6-12-63(47)72-65)38-14-22-57-49(30-38)50-31-39(15-23-58(50)69(57)44-8-2-1-3-9-44)41-17-25-60-52(33-41)54-35-43(68)19-27-62(54)71(60)46-21-29-66-56(37-46)48-11-5-7-13-64(48)73-66/h1-4,6-10,12-37,50-51,58-59H,5,11H2
InChIKeyBYIXAWUFJLPTRC-UHFFFAOYSA-N
MW1069.90 g/mol
LogP18.43
Rot. Bonds5

About 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole

3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole (PubChem CID 90360679) has the molecular formula C66H43Br2N3O2 and a molecular weight of 1069.90 g/mol. Its IUPAC name is 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole
PubChem CID90360679
Molecular FormulaC66H43Br2N3O2
Molecular Weight1069.90 g/mol
Exact Mass1067.17
IUPAC Name3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole
SMILESBrc1ccc2c(c1)C1C=C(c3ccc4c(c3)C3C=C(c5ccc6c(c5)c5cc(Br)ccc5n6-c5ccc6oc7c(c6c5)CCC=C7)C=CC3N4c3ccccc3)C=CC1N2c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C66H43Br2N3O2/c67-42-18-26-61-53(34-42)51-32-40(16-24-59(51)70(61)45-20-28-65-55(36-45)47-10-4-6-12-63(47)72-65)38-14-22-57-49(30-38)50-31-39(15-23-58(50)69(57)44-8-2-1-3-9-44)41-17-25-60-52(33-41)54-35-43(68)19-27-62(54)71(60)46-21-29-66-56(37-46)48-11-5-7-13-64(48)73-66/h1-4,6-10,12-37,50-51,58-59H,5,11H2
InChIKeyBYIXAWUFJLPTRC-UHFFFAOYSA-N
XLogP18.43
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.90
LogP ≤ 518.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole?
The IUPAC name of 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole (CID 90360679) is 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole.
What is the SMILES notation for 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole?
The canonical SMILES for 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole is Brc1ccc2c(c1)C1C=C(c3ccc4c(c3)C3C=C(c5ccc6c(c5)c5cc(Br)ccc5n6-c5ccc6oc7c(c6c5)CCC=C7)C=CC3N4c3ccccc3)C=CC1N2c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole?
The InChIKey is BYIXAWUFJLPTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43Br2N3O2/c67-42-18-26-61-53(34-42)51-32-40(16-24-59(51)70(61)45-20-28-65-55(36-45)47-10-4-6-12-63(47)72-65)38-14-22-57-49(30-38)50-31-39(15-23-58(50)69(57)44-8-2-1-3-9-44)41-17-25-60-52(33-41)54-35-43(68)19-27-62(54)71(60)46-21-29-66-56(37-46)48-11-5-7-13-64(48)73-66/h1-4,6-10,12-37,50-51,58-59H,5,11H2.
What are the key properties of 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole?
3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole has a molecular weight of 1069.90 g/mol, XLogP of 18.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[6-(6-bromo-9-dibenzofuran-2-yl-4a,9a-dihydrocarbazol-3-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-(8,9-dihydrodibenzofuran-2-yl)carbazole is sourced from PubChem (CID 90360679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).