2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole

C57H41N3O — CID 163673055

IUPAC2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC1C=CC=C(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)C1
InChIInChI=1S/C57H41N3O/c1-38-13-12-18-44(35-38)46-30-34-55-53(37-46)52-36-45(39-14-4-2-5-15-39)29-33-54(52)60(55)47-31-27-41(28-32-47)49-20-9-11-22-51(49)50-21-10-8-19-48(50)40-23-25-43(26-24-40)57-59-58-56(61-57)42-16-6-3-7-17-42/h2-34,36-38H,35H2,1H3
InChIKeyJEGCVNBMAAMBME-UHFFFAOYSA-N
MW783.98 g/mol
LogP15.15
Rot. Bonds8

About 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 163673055) has the molecular formula C57H41N3O and a molecular weight of 783.98 g/mol. Its IUPAC name is 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID163673055
Molecular FormulaC57H41N3O
Molecular Weight783.98 g/mol
Exact Mass783.32
IUPAC Name2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC1C=CC=C(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)C1
InChIInChI=1S/C57H41N3O/c1-38-13-12-18-44(35-38)46-30-34-55-53(37-46)52-36-45(39-14-4-2-5-15-39)29-33-54(52)60(55)47-31-27-41(28-32-47)49-20-9-11-22-51(49)50-21-10-8-19-48(50)40-23-25-43(26-24-40)57-59-58-56(61-57)42-16-6-3-7-17-42/h2-34,36-38H,35H2,1H3
InChIKeyJEGCVNBMAAMBME-UHFFFAOYSA-N
XLogP15.15
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.98
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

9-({[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 1283422
9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl}-2,3,4,9-tetrahydro-1H-carbazole
CID 1390051
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-8-fluoro-2,14,14,18,19,25,26-heptamethyl-12-azaheptacyclo[16.12.0.02,15.04,13.06,11.019,28.022,27]triaconta-4(13),5,7,9,11,28-hexaen-22-yl]-5-phenyl-1,3,4-oxadiazole
CID 137649706
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-8-fluoro-2,14,14,18,19,25,26-heptamethyl-12-azaheptacyclo[16.12.0.02,15.04,13.06,11.019,28.022,27]triaconta-4(13),5,7,9,11,28-hexaen-22-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 137650847
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-2,14,14,18,19,25,26-heptamethyl-12-azaheptacyclo[16.12.0.02,15.04,13.06,11.019,28.022,27]triaconta-4,6,8,10,12,28-hexaen-22-yl]-5-phenyl-1,3,4-oxadiazole
CID 137651070
2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-2,14,14,18,19,25,26-heptamethyl-12-azaheptacyclo[16.12.0.02,15.04,13.06,11.019,28.022,27]triaconta-4,6,8,10,12,28-hexaen-22-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 137659110
2-[4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 155556585
4-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline
CID 1968798
2-(2-Carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 59806411
9-{4-[5-(4-t-Butylphenyl)-[1,3,4] oxadiazol-2-yl]-benzyl}-9h-carbazole
CID 101416588
2,5-Bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole
CID 102168461
2,5-Bis(2-(9h-carbazole-9-yl)phenyl)-1,3,4-oxadiazole
CID 102521602

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 163673055) is 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole is CC1C=CC=C(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3ccccc3-c3ccccc3-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)C1.
What is the InChIKey of 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is JEGCVNBMAAMBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3O/c1-38-13-12-18-44(35-38)46-30-34-55-53(37-46)52-36-45(39-14-4-2-5-15-39)29-33-54(52)60(55)47-31-27-41(28-32-47)49-20-9-11-22-51(49)50-21-10-8-19-48(50)40-23-25-43(26-24-40)57-59-58-56(61-57)42-16-6-3-7-17-42/h2-34,36-38H,35H2,1H3.
What are the key properties of 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 783.98 g/mol, XLogP of 15.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[4-[3-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 163673055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).