9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole

C85H53N7O — CID 58099534

IUPAC9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cncc(-c3ccc4oc5c(-n6c7ccc(-c8ccccc8-c8ccccn8)cc7c7cc(-c8ccccc8-c8ccccn8)ccc76)cccc5c4c3)c2)nc1
InChIInChI=1S/C85H53N7O/c1-5-22-65(75-27-9-13-42-87-75)61(18-1)55-32-37-79-70(48-55)71-49-56(62-19-2-6-23-66(62)76-28-10-14-43-88-76)33-38-80(71)91(79)60-46-59(52-86-53-60)54-36-41-84-74(47-54)69-26-17-31-83(85(69)93-84)92-81-39-34-57(63-20-3-7-24-67(63)77-29-11-15-44-89-77)50-72(81)73-51-58(35-40-82(73)92)64-21-4-8-25-68(64)78-30-12-16-45-90-78/h1-53H
InChIKeySWJQHONFBXWAGR-UHFFFAOYSA-N
MW1188.41 g/mol
LogP21.76
Rot. Bonds11

About 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole

9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole (PubChem CID 58099534) has the molecular formula C85H53N7O and a molecular weight of 1188.41 g/mol. Its IUPAC name is 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole
PubChem CID58099534
Molecular FormulaC85H53N7O
Molecular Weight1188.41 g/mol
Exact Mass1187.43
IUPAC Name9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cncc(-c3ccc4oc5c(-n6c7ccc(-c8ccccc8-c8ccccn8)cc7c7cc(-c8ccccc8-c8ccccn8)ccc76)cccc5c4c3)c2)nc1
InChIInChI=1S/C85H53N7O/c1-5-22-65(75-27-9-13-42-87-75)61(18-1)55-32-37-79-70(48-55)71-49-56(62-19-2-6-23-66(62)76-28-10-14-43-88-76)33-38-80(71)91(79)60-46-59(52-86-53-60)54-36-41-84-74(47-54)69-26-17-31-83(85(69)93-84)92-81-39-34-57(63-20-3-7-24-67(63)77-29-11-15-44-89-77)50-72(81)73-51-58(35-40-82(73)92)64-21-4-8-25-68(64)78-30-12-16-45-90-78/h1-53H
InChIKeySWJQHONFBXWAGR-UHFFFAOYSA-N
XLogP21.76
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001188.41
LogP ≤ 521.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole (CID 58099534) is 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cncc(-c3ccc4oc5c(-n6c7ccc(-c8ccccc8-c8ccccn8)cc7c7cc(-c8ccccc8-c8ccccn8)ccc76)cccc5c4c3)c2)nc1.
What is the InChIKey of 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
The InChIKey is SWJQHONFBXWAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H53N7O/c1-5-22-65(75-27-9-13-42-87-75)61(18-1)55-32-37-79-70(48-55)71-49-56(62-19-2-6-23-66(62)76-28-10-14-43-88-76)33-38-80(71)91(79)60-46-59(52-86-53-60)54-36-41-84-74(47-54)69-26-17-31-83(85(69)93-84)92-81-39-34-57(63-20-3-7-24-67(63)77-29-11-15-44-89-77)50-72(81)73-51-58(35-40-82(73)92)64-21-4-8-25-68(64)78-30-12-16-45-90-78/h1-53H.
What are the key properties of 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole has a molecular weight of 1188.41 g/mol, XLogP of 21.76, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[6-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3-pyridinyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 58099534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).