2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole

C136H88N8O4S2 — CID 158455822

IUPAC2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESCc1ccc(-n2c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6s5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3c3cc(-c4cccc(-c5nc6ccccc6o5)c4)ccc32)cc1
InChIInChI=1S/C46H30N2O2.C45H29N3O2.C45H29N3S2/c1-29-10-22-37(23-11-29)48-41-24-20-34(30-12-16-32(17-13-30)45-28-36-6-2-4-8-43(36)49-45)26-38(41)39-27-35(21-25-42(39)48)31-14-18-33(19-15-31)46-47-40-7-3-5-9-44(40)50-46;1-28-16-20-35(21-17-28)48-40-22-18-31(29-8-6-10-33(24-29)44-46-38-12-2-4-14-42(38)49-44)26-36(40)37-27-32(19-23-41(37)48)30-9-7-11-34(25-30)45-47-39-13-3-5-15-43(39)50-45;1-28-10-22-35(23-11-28)48-40-24-20-33(29-12-16-31(17-13-29)44-46-38-6-2-4-8-42(38)49-44)26-36(40)37-27-34(21-25-41(37)48)30-14-18-32(19-15-30)45-47-39-7-3-5-9-43(39)50-45/h2-28H,1H3;2*2-27H,1H3
InChIKeyHEOADNZJDBNJQB-UHFFFAOYSA-N
MW1962.39 g/mol
LogP37.67
Rot. Bonds15

About 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole

2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole (PubChem CID 158455822) has the molecular formula C136H88N8O4S2 and a molecular weight of 1962.39 g/mol. Its IUPAC name is 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
PubChem CID158455822
Molecular FormulaC136H88N8O4S2
Molecular Weight1962.39 g/mol
Exact Mass1960.64
IUPAC Name2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESCc1ccc(-n2c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6s5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3c3cc(-c4cccc(-c5nc6ccccc6o5)c4)ccc32)cc1
InChIInChI=1S/C46H30N2O2.C45H29N3O2.C45H29N3S2/c1-29-10-22-37(23-11-29)48-41-24-20-34(30-12-16-32(17-13-30)45-28-36-6-2-4-8-43(36)49-45)26-38(41)39-27-35(21-25-42(39)48)31-14-18-33(19-15-31)46-47-40-7-3-5-9-44(40)50-46;1-28-16-20-35(21-17-28)48-40-22-18-31(29-8-6-10-33(24-29)44-46-38-12-2-4-14-42(38)49-44)26-36(40)37-27-32(19-23-41(37)48)30-9-7-11-34(25-30)45-47-39-13-3-5-15-43(39)50-45;1-28-10-22-35(23-11-28)48-40-24-20-33(29-12-16-31(17-13-29)44-46-38-6-2-4-8-42(38)49-44)26-36(40)37-27-34(21-25-41(37)48)30-14-18-32(19-15-30)45-47-39-7-3-5-9-43(39)50-45/h2-28H,1H3;2*2-27H,1H3
InChIKeyHEOADNZJDBNJQB-UHFFFAOYSA-N
XLogP37.67
TPSA131.80 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.39
LogP ≤ 537.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole (CID 158455822) is 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole is Cc1ccc(-n2c3ccc(-c4ccc(-c5cc6ccccc6o5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6s5)cc4)ccc32)cc1.Cc1ccc(-n2c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3c3cc(-c4cccc(-c5nc6ccccc6o5)c4)ccc32)cc1.
What is the InChIKey of 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The InChIKey is HEOADNZJDBNJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O2.C45H29N3O2.C45H29N3S2/c1-29-10-22-37(23-11-29)48-41-24-20-34(30-12-16-32(17-13-30)45-28-36-6-2-4-8-43(36)49-45)26-38(41)39-27-35(21-25-42(39)48)31-14-18-33(19-15-31)46-47-40-7-3-5-9-44(40)50-46;1-28-16-20-35(21-17-28)48-40-22-18-31(29-8-6-10-33(24-29)44-46-38-12-2-4-14-42(38)49-44)26-36(40)37-27-32(19-23-41(37)48)30-9-7-11-34(25-30)45-47-39-13-3-5-15-43(39)50-45;1-28-10-22-35(23-11-28)48-40-24-20-33(29-12-16-31(17-13-29)44-46-38-6-2-4-8-42(38)49-44)26-36(40)37-27-34(21-25-41(37)48)30-14-18-32(19-15-30)45-47-39-7-3-5-9-43(39)50-45/h2-28H,1H3;2*2-27H,1H3.
What are the key properties of 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole has a molecular weight of 1962.39 g/mol, XLogP of 37.67, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(1-benzofuran-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzothiazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzothiazole;2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 158455822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).