9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole

C84H51N9O — CID 58099841

IUPAC9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2cccc(-c3cc(-n4c5ccc(-c6ccccn6)cc5c5cc(-c6ccccn6)ccc54)cc4c3oc3ccc(-n5c6ccc(-c7ccccn7)cc6c6cc(-c7ccccn7)ccc65)cc34)c2)nc1
InChIInChI=1S/C84H51N9O/c1-7-36-85-71(16-1)53-22-29-77-63(43-53)64-44-54(72-17-2-8-37-86-72)23-30-78(64)91(77)59-15-13-14-52(42-59)62-50-61(93-81-33-26-57(75-20-5-11-40-89-75)47-67(81)68-48-58(27-34-82(68)93)76-21-6-12-41-90-76)51-70-69-49-60(28-35-83(69)94-84(62)70)92-79-31-24-55(73-18-3-9-38-87-73)45-65(79)66-46-56(25-32-80(66)92)74-19-4-10-39-88-74/h1-51H
InChIKeyLWWLGVCXAPRXOT-UHFFFAOYSA-N
MW1202.39 g/mol
LogP20.92
Rot. Bonds10

About 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole

9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole (PubChem CID 58099841) has the molecular formula C84H51N9O and a molecular weight of 1202.39 g/mol. Its IUPAC name is 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole.

Molecular Properties

Compound Name9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole
PubChem CID58099841
Molecular FormulaC84H51N9O
Molecular Weight1202.39 g/mol
Exact Mass1201.42
IUPAC Name9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2cccc(-c3cc(-n4c5ccc(-c6ccccn6)cc5c5cc(-c6ccccn6)ccc54)cc4c3oc3ccc(-n5c6ccc(-c7ccccn7)cc6c6cc(-c7ccccn7)ccc65)cc34)c2)nc1
InChIInChI=1S/C84H51N9O/c1-7-36-85-71(16-1)53-22-29-77-63(43-53)64-44-54(72-17-2-8-37-86-72)23-30-78(64)91(77)59-15-13-14-52(42-59)62-50-61(93-81-33-26-57(75-20-5-11-40-89-75)47-67(81)68-48-58(27-34-82(68)93)76-21-6-12-41-90-76)51-70-69-49-60(28-35-83(69)94-84(62)70)92-79-31-24-55(73-18-3-9-38-87-73)45-65(79)66-46-56(25-32-80(66)92)74-19-4-10-39-88-74/h1-51H
InChIKeyLWWLGVCXAPRXOT-UHFFFAOYSA-N
XLogP20.92
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.39
LogP ≤ 520.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole?
The IUPAC name of 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole (CID 58099841) is 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole.
What is the SMILES notation for 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole?
The canonical SMILES for 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2cccc(-c3cc(-n4c5ccc(-c6ccccn6)cc5c5cc(-c6ccccn6)ccc54)cc4c3oc3ccc(-n5c6ccc(-c7ccccn7)cc6c6cc(-c7ccccn7)ccc65)cc34)c2)nc1.
What is the InChIKey of 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole?
The InChIKey is LWWLGVCXAPRXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H51N9O/c1-7-36-85-71(16-1)53-22-29-77-63(43-53)64-44-54(72-17-2-8-37-86-72)23-30-78(64)91(77)59-15-13-14-52(42-59)62-50-61(93-81-33-26-57(75-20-5-11-40-89-75)47-67(81)68-48-58(27-34-82(68)93)76-21-6-12-41-90-76)51-70-69-49-60(28-35-83(69)94-84(62)70)92-79-31-24-55(73-18-3-9-38-87-73)45-65(79)66-46-56(25-32-80(66)92)74-19-4-10-39-88-74/h1-51H.
What are the key properties of 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole?
9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole has a molecular weight of 1202.39 g/mol, XLogP of 20.92, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole is sourced from PubChem (CID 58099841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).