2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole

C64H38N10O — CID 122594127

IUPAC2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c9ccccc9n(-c9nc(-c%10ccc(-c%11ccccn%11)cc%10)c%10ccccc%10n9)c8c7)o6)cc54)nc4ccccc34)cc2)nc1
InChIInChI=1S/C64H38N10O/c1-5-19-53-49(15-1)59(41-27-23-39(24-28-41)51-17-9-11-35-65-51)69-63(67-53)73-55-21-7-3-13-45(55)47-33-31-43(37-57(47)73)61-71-72-62(75-61)44-32-34-48-46-14-4-8-22-56(46)74(58(48)38-44)64-68-54-20-6-2-16-50(54)60(70-64)42-29-25-40(26-30-42)52-18-10-12-36-66-52/h1-38H
InChIKeyKWQJQHXBMTUFRK-UHFFFAOYSA-N
MW963.08 g/mol
LogP14.94
Rot. Bonds8

About 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole

2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole (PubChem CID 122594127) has the molecular formula C64H38N10O and a molecular weight of 963.08 g/mol. Its IUPAC name is 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole
PubChem CID122594127
Molecular FormulaC64H38N10O
Molecular Weight963.08 g/mol
Exact Mass962.32
IUPAC Name2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c9ccccc9n(-c9nc(-c%10ccc(-c%11ccccn%11)cc%10)c%10ccccc%10n9)c8c7)o6)cc54)nc4ccccc34)cc2)nc1
InChIInChI=1S/C64H38N10O/c1-5-19-53-49(15-1)59(41-27-23-39(24-28-41)51-17-9-11-35-65-51)69-63(67-53)73-55-21-7-3-13-45(55)47-33-31-43(37-57(47)73)61-71-72-62(75-61)44-32-34-48-46-14-4-8-22-56(46)74(58(48)38-44)64-68-54-20-6-2-16-50(54)60(70-64)42-29-25-40(26-30-42)52-18-10-12-36-66-52/h1-38H
InChIKeyKWQJQHXBMTUFRK-UHFFFAOYSA-N
XLogP14.94
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.08
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole (CID 122594127) is 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6nnc(-c7ccc8c9ccccc9n(-c9nc(-c%10ccc(-c%11ccccn%11)cc%10)c%10ccccc%10n9)c8c7)o6)cc54)nc4ccccc34)cc2)nc1.
What is the InChIKey of 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is KWQJQHXBMTUFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N10O/c1-5-19-53-49(15-1)59(41-27-23-39(24-28-41)51-17-9-11-35-65-51)69-63(67-53)73-55-21-7-3-13-45(55)47-33-31-43(37-57(47)73)61-71-72-62(75-61)44-32-34-48-46-14-4-8-22-56(46)74(58(48)38-44)64-68-54-20-6-2-16-50(54)60(70-64)42-29-25-40(26-30-42)52-18-10-12-36-66-52/h1-38H.
What are the key properties of 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole?
2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole has a molecular weight of 963.08 g/mol, XLogP of 14.94, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 122594127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).