2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole

C40H37N3O — CID 23522301

IUPAC2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCC(CC(C)c1ccc2c(c1)c1ccccc1n2CC)c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C40H37N3O/c1-4-28(25-27(3)34-23-24-38-36(26-34)35-13-9-10-14-37(35)43(38)5-2)29-15-17-30(18-16-29)31-19-21-33(22-20-31)40-42-41-39(44-40)32-11-7-6-8-12-32/h6-24,26-28H,4-5,25H2,1-3H3
InChIKeyFDOINGHZYRDLPE-UHFFFAOYSA-N
MW575.76 g/mol
LogP10.89
Rot. Bonds9

About 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 23522301) has the molecular formula C40H37N3O and a molecular weight of 575.76 g/mol. Its IUPAC name is 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID23522301
Molecular FormulaC40H37N3O
Molecular Weight575.76 g/mol
Exact Mass575.29
IUPAC Name2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCC(CC(C)c1ccc2c(c1)c1ccccc1n2CC)c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
InChIInChI=1S/C40H37N3O/c1-4-28(25-27(3)34-23-24-38-36(26-34)35-13-9-10-14-37(35)43(38)5-2)29-15-17-30(18-16-29)31-19-21-33(22-20-31)40-42-41-39(44-40)32-11-7-6-8-12-32/h6-24,26-28H,4-5,25H2,1-3H3
InChIKeyFDOINGHZYRDLPE-UHFFFAOYSA-N
XLogP10.89
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;methane
CID 157441624
2-[4-[4-(5-carbazol-9-ylhexan-3-yl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;methane
CID 162059761
2-phenyl-5-[4-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]hexan-2-yl]phenyl]-1,3,4-oxadiazole
CID 71105342
3-butan-2-yl-9-ethylcarbazole
CID 23520664
9-ethyl-3-[(9-ethylcarbazol-3-yl)-(4-phenylphenyl)methyl]carbazole
CID 14093933
9-ethyl-4-[4-(5-phenylhexan-3-yl)phenyl]carbazole
CID 58569968
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274
N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
CID 159506351
9-ethyl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189334
butan-2-ylbenzene;9-ethyl-2-(4-phenylhexan-2-yl)carbazole;methane;tris(2-methylpyridine);9-(4-phenylhexan-2-yl)carbazole
CID 158846419
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
2-[4-[2-[2-[4-[3-butan-2-yl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 162587113

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 23522301) is 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole is CCC(CC(C)c1ccc2c(c1)c1ccccc1n2CC)c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FDOINGHZYRDLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N3O/c1-4-28(25-27(3)34-23-24-38-36(26-34)35-13-9-10-14-37(35)43(38)5-2)29-15-17-30(18-16-29)31-19-21-33(22-20-31)40-42-41-39(44-40)32-11-7-6-8-12-32/h6-24,26-28H,4-5,25H2,1-3H3.
What are the key properties of 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 575.76 g/mol, XLogP of 10.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(9-ethylcarbazol-3-yl)hexan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 23522301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).