5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole

C139H110N8O4 — CID 157371180

IUPAC5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole
SMILESCCCc1cc(C)cc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.CCc1cc(C)cc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.CCc1cc(CC)c2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1.Cc1cc(C(C)C)c2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1
InChIInChI=1S/3C35H28N2O.C34H26N2O/c1-22(2)29-19-23(3)20-31-34(29)38-35(36-31)25-15-13-24(14-16-25)26-17-18-33-30(21-26)28-11-7-8-12-32(28)37(33)27-9-5-4-6-10-27;1-3-9-27-20-23(2)21-31-34(27)38-35(36-31)25-16-14-24(15-17-25)26-18-19-33-30(22-26)29-12-7-8-13-32(29)37(33)28-10-5-4-6-11-28;1-3-23-20-24(4-2)34-31(21-23)36-35(38-34)26-16-14-25(15-17-26)27-18-19-33-30(22-27)29-12-8-9-13-32(29)37(33)28-10-6-5-7-11-28;1-3-23-19-22(2)20-30-33(23)37-34(35-30)25-15-13-24(14-16-25)26-17-18-32-29(21-26)28-11-7-8-12-31(28)36(32)27-9-5-4-6-10-27/h4-22H,1-3H3;4-8,10-22H,3,9H2,1-2H3;5-22H,3-4H2,1-2H3;4-21H,3H2,1-2H3
InChIKeyBJTZVWPQDTYBPA-UHFFFAOYSA-N
MW1956.46 g/mol
LogP37.72
Rot. Bonds18

About 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole

5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole (PubChem CID 157371180) has the molecular formula C139H110N8O4 and a molecular weight of 1956.46 g/mol. Its IUPAC name is 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole.

Molecular Properties

Compound Name5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole
PubChem CID157371180
Molecular FormulaC139H110N8O4
Molecular Weight1956.46 g/mol
Exact Mass1954.87
IUPAC Name5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole
SMILESCCCc1cc(C)cc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.CCc1cc(C)cc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.CCc1cc(CC)c2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1.Cc1cc(C(C)C)c2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1
InChIInChI=1S/3C35H28N2O.C34H26N2O/c1-22(2)29-19-23(3)20-31-34(29)38-35(36-31)25-15-13-24(14-16-25)26-17-18-33-30(21-26)28-11-7-8-12-32(28)37(33)27-9-5-4-6-10-27;1-3-9-27-20-23(2)21-31-34(27)38-35(36-31)25-16-14-24(15-17-25)26-18-19-33-30(22-26)29-12-7-8-13-32(29)37(33)28-10-5-4-6-11-28;1-3-23-20-24(4-2)34-31(21-23)36-35(38-34)26-16-14-25(15-17-26)27-18-19-33-30(22-27)29-12-8-9-13-32(29)37(33)28-10-6-5-7-11-28;1-3-23-19-22(2)20-30-33(23)37-34(35-30)25-15-13-24(14-16-25)26-17-18-32-29(21-26)28-11-7-8-12-31(28)36(32)27-9-5-4-6-10-27/h4-22H,1-3H3;4-8,10-22H,3,9H2,1-2H3;5-22H,3-4H2,1-2H3;4-21H,3H2,1-2H3
InChIKeyBJTZVWPQDTYBPA-UHFFFAOYSA-N
XLogP37.72
TPSA123.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001956.46
LogP ≤ 537.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole?
The IUPAC name of 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole (CID 157371180) is 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole.
What is the SMILES notation for 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole?
The canonical SMILES for 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole is CCCc1cc(C)cc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.CCc1cc(C)cc2nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.CCc1cc(CC)c2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1.Cc1cc(C(C)C)c2oc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc2c1.
What is the InChIKey of 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole?
The InChIKey is BJTZVWPQDTYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C35H28N2O.C34H26N2O/c1-22(2)29-19-23(3)20-31-34(29)38-35(36-31)25-15-13-24(14-16-25)26-17-18-33-30(21-26)28-11-7-8-12-32(28)37(33)27-9-5-4-6-10-27;1-3-9-27-20-23(2)21-31-34(27)38-35(36-31)25-16-14-24(15-17-25)26-18-19-33-30(22-26)29-12-7-8-13-32(29)37(33)28-10-5-4-6-11-28;1-3-23-20-24(4-2)34-31(21-23)36-35(38-34)26-16-14-25(15-17-26)27-18-19-33-30(22-27)29-12-8-9-13-32(29)37(33)28-10-6-5-7-11-28;1-3-23-19-22(2)20-30-33(23)37-34(35-30)25-15-13-24(14-16-25)26-17-18-32-29(21-26)28-11-7-8-12-31(28)36(32)27-9-5-4-6-10-27/h4-22H,1-3H3;4-8,10-22H,3,9H2,1-2H3;5-22H,3-4H2,1-2H3;4-21H,3H2,1-2H3.
What are the key properties of 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole?
5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole has a molecular weight of 1956.46 g/mol, XLogP of 37.72, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;7-ethyl-5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole;5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propyl-1,3-benzoxazole is sourced from PubChem (CID 157371180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).