5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole

C209H166N12O6 — CID 157440024

IUPAC5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole
SMILESCCC(C)c1cc(C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCCc1cc(CC)cc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.CCc1cc(C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCc1cc(CC)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.Cc1cc(C(C)(C)C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.Cc1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1
InChIInChI=1S/3C36H30N2O.C35H28N2O.C34H26N2O.C32H22N2O/c1-23-21-30(36(2,3)4)34-31(22-23)37-35(39-34)26-15-13-24(14-16-26)25-17-19-27(20-18-25)38-32-11-7-5-9-28(32)29-10-6-8-12-33(29)38;1-4-23(2)28-21-24(3)35-32(22-28)37-36(39-35)27-15-13-25(14-16-27)26-17-19-29(20-18-26)38-33-11-7-5-9-30(33)31-10-6-8-12-34(31)38;1-3-9-28-22-24(4-2)23-32-35(28)39-36(37-32)27-16-14-25(15-17-27)26-18-20-29(21-19-26)38-33-12-7-5-10-30(33)31-11-6-8-13-34(31)38;1-3-23-21-24(4-2)34-31(22-23)36-35(38-34)27-15-13-25(14-16-27)26-17-19-28(20-18-26)37-32-11-7-5-9-29(32)30-10-6-8-12-33(30)37;1-3-23-20-22(2)33-30(21-23)35-34(37-33)26-14-12-24(13-15-26)25-16-18-27(19-17-25)36-31-10-6-4-8-28(31)29-9-5-7-11-32(29)36;1-21-10-19-31-28(20-21)33-32(35-31)24-13-11-22(12-14-24)23-15-17-25(18-16-23)34-29-8-4-2-6-26(29)27-7-3-5-9-30(27)34/h5-22H,1-4H3;5-23H,4H2,1-3H3;5-8,10-23H,3-4,9H2,1-2H3;5-22H,3-4H2,1-2H3;4-21H,3H2,1-2H3;2-20H,1H3
InChIKeyBROGCJUNMHOBCE-UHFFFAOYSA-N
MW2941.70 g/mol
LogP56.80
Rot. Bonds26

About 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole

5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole (PubChem CID 157440024) has the molecular formula C209H166N12O6 and a molecular weight of 2941.70 g/mol. Its IUPAC name is 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole
PubChem CID157440024
Molecular FormulaC209H166N12O6
Molecular Weight2941.70 g/mol
Exact Mass2939.31
IUPAC Name5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole
SMILESCCC(C)c1cc(C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCCc1cc(CC)cc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.CCc1cc(C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCc1cc(CC)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.Cc1cc(C(C)(C)C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.Cc1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1
InChIInChI=1S/3C36H30N2O.C35H28N2O.C34H26N2O.C32H22N2O/c1-23-21-30(36(2,3)4)34-31(22-23)37-35(39-34)26-15-13-24(14-16-26)25-17-19-27(20-18-25)38-32-11-7-5-9-28(32)29-10-6-8-12-33(29)38;1-4-23(2)28-21-24(3)35-32(22-28)37-36(39-35)27-15-13-25(14-16-27)26-17-19-29(20-18-26)38-33-11-7-5-9-30(33)31-10-6-8-12-34(31)38;1-3-9-28-22-24(4-2)23-32-35(28)39-36(37-32)27-16-14-25(15-17-27)26-18-20-29(21-19-26)38-33-12-7-5-10-30(33)31-11-6-8-13-34(31)38;1-3-23-21-24(4-2)34-31(22-23)36-35(38-34)27-15-13-25(14-16-27)26-17-19-28(20-18-26)37-32-11-7-5-9-29(32)30-10-6-8-12-33(30)37;1-3-23-20-22(2)33-30(21-23)35-34(37-33)26-14-12-24(13-15-26)25-16-18-27(19-17-25)36-31-10-6-4-8-28(31)29-9-5-7-11-32(29)36;1-21-10-19-31-28(20-21)33-32(35-31)24-13-11-22(12-14-24)23-15-17-25(18-16-23)34-29-8-4-2-6-26(29)27-7-3-5-9-30(27)34/h5-22H,1-4H3;5-23H,4H2,1-3H3;5-8,10-23H,3-4,9H2,1-2H3;5-22H,3-4H2,1-2H3;4-21H,3H2,1-2H3;2-20H,1H3
InChIKeyBROGCJUNMHOBCE-UHFFFAOYSA-N
XLogP56.80
TPSA185.76 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002941.70
LogP ≤ 556.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole (CID 157440024) is 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole is CCC(C)c1cc(C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCCc1cc(CC)cc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.CCc1cc(C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCc1cc(CC)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.Cc1cc(C(C)(C)C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.Cc1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.
What is the InChIKey of 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole?
The InChIKey is BROGCJUNMHOBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H30N2O.C35H28N2O.C34H26N2O.C32H22N2O/c1-23-21-30(36(2,3)4)34-31(22-23)37-35(39-34)26-15-13-24(14-16-26)25-17-19-27(20-18-25)38-32-11-7-5-9-28(32)29-10-6-8-12-33(29)38;1-4-23(2)28-21-24(3)35-32(22-28)37-36(39-35)27-15-13-25(14-16-27)26-17-19-29(20-18-26)38-33-11-7-5-9-30(33)31-10-6-8-12-34(31)38;1-3-9-28-22-24(4-2)23-32-35(28)39-36(37-32)27-16-14-25(15-17-27)26-18-20-29(21-19-26)38-33-12-7-5-10-30(33)31-11-6-8-13-34(31)38;1-3-23-21-24(4-2)34-31(22-23)36-35(38-34)27-15-13-25(14-16-27)26-17-19-28(20-18-26)37-32-11-7-5-9-29(32)30-10-6-8-12-33(30)37;1-3-23-20-22(2)33-30(21-23)35-34(37-33)26-14-12-24(13-15-26)25-16-18-27(19-17-25)36-31-10-6-4-8-28(31)29-9-5-7-11-32(29)36;1-21-10-19-31-28(20-21)33-32(35-31)24-13-11-22(12-14-24)23-15-17-25(18-16-23)34-29-8-4-2-6-26(29)27-7-3-5-9-30(27)34/h5-22H,1-4H3;5-23H,4H2,1-3H3;5-8,10-23H,3-4,9H2,1-2H3;5-22H,3-4H2,1-2H3;4-21H,3H2,1-2H3;2-20H,1H3.
What are the key properties of 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole?
5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole has a molecular weight of 2941.70 g/mol, XLogP of 56.80, 26 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;7-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5,7-diethyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-ethyl-7-propyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 157440024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).