7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

C88H54N10O2 — CID 161059096

IUPAC7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1.c1cc(-c2ccnc(-c3ccc4nc5occn5c4c3)c2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/2C44H27N5O/c1-4-15-38-32(11-1)33-12-2-5-16-39(33)48(38)31-20-22-41-35(27-31)34-13-3-6-17-40(34)49(41)43-18-8-14-36(45-43)30-10-7-9-28(25-30)29-19-21-37-42(26-29)47-23-24-50-44(47)46-37;1-4-13-39-33(10-1)34-11-2-5-14-40(34)49(39)32-17-19-42-36(27-32)35-12-3-6-15-41(35)48(42)31-9-7-8-28(24-31)29-20-21-45-38(25-29)30-16-18-37-43(26-30)47-22-23-50-44(47)46-37/h2*1-27H
InChIKeyUDDSCDBRFHOMEE-UHFFFAOYSA-N
MW1283.47 g/mol
LogP22.01
Rot. Bonds8

About 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 161059096) has the molecular formula C88H54N10O2 and a molecular weight of 1283.47 g/mol. Its IUPAC name is 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID161059096
Molecular FormulaC88H54N10O2
Molecular Weight1283.47 g/mol
Exact Mass1282.44
IUPAC Name7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1.c1cc(-c2ccnc(-c3ccc4nc5occn5c4c3)c2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/2C44H27N5O/c1-4-15-38-32(11-1)33-12-2-5-16-39(33)48(38)31-20-22-41-35(27-31)34-13-3-6-17-40(34)49(41)43-18-8-14-36(45-43)30-10-7-9-28(25-30)29-19-21-37-42(26-29)47-23-24-50-44(47)46-37;1-4-13-39-33(10-1)34-11-2-5-14-40(34)49(39)32-17-19-42-36(27-32)35-12-3-6-15-41(35)48(42)31-9-7-8-28(24-31)29-20-21-45-38(25-29)30-16-18-37-43(26-30)47-22-23-50-44(47)46-37/h2*1-27H
InChIKeyUDDSCDBRFHOMEE-UHFFFAOYSA-N
XLogP22.01
TPSA106.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001283.47
LogP ≤ 522.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (CID 161059096) is 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is c1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)c1.c1cc(-c2ccnc(-c3ccc4nc5occn5c4c3)c2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is UDDSCDBRFHOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H27N5O/c1-4-15-38-32(11-1)33-12-2-5-16-39(33)48(38)31-20-22-41-35(27-31)34-13-3-6-17-40(34)49(41)43-18-8-14-36(45-43)30-10-7-9-28(25-30)29-19-21-37-42(26-29)47-23-24-50-44(47)46-37;1-4-13-39-33(10-1)34-11-2-5-14-40(34)49(39)32-17-19-42-36(27-32)35-12-3-6-15-41(35)48(42)31-9-7-8-28(24-31)29-20-21-45-38(25-29)30-16-18-37-43(26-30)47-22-23-50-44(47)46-37/h2*1-27H.
What are the key properties of 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 1283.47 g/mol, XLogP of 22.01, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-pyridinyl]-[1,3]oxazolo[3,2-a]benzimidazole;7-[3-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 161059096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).