2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole

C69H45N3O — CID 89091015

IUPAC2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
SMILESC1=C(c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)ccc2n3-c2ccccc2)CCC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C69H45N3O/c1-3-17-45(18-4-1)67-70-71-68(73-67)46-33-31-44(32-34-46)51-21-7-9-23-53(51)54-24-10-8-22-52(54)49-37-40-66-60(42-49)59-41-47(36-39-65(59)72(66)50-19-5-2-6-20-50)48-35-38-58-57-27-13-16-30-63(57)69(64(58)43-48)61-28-14-11-25-55(61)56-26-12-15-29-62(56)69/h1-34,36-37,39-43H,35,38H2
InChIKeyWUNRWJLVZJOBSJ-UHFFFAOYSA-N
MW932.14 g/mol
LogP17.46
Rot. Bonds7

About 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 89091015) has the molecular formula C69H45N3O and a molecular weight of 932.14 g/mol. Its IUPAC name is 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
PubChem CID89091015
Molecular FormulaC69H45N3O
Molecular Weight932.14 g/mol
Exact Mass931.36
IUPAC Name2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole
SMILESC1=C(c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)ccc2n3-c2ccccc2)CCC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C69H45N3O/c1-3-17-45(18-4-1)67-70-71-68(73-67)46-33-31-44(32-34-46)51-21-7-9-23-53(51)54-24-10-8-22-52(54)49-37-40-66-60(42-49)59-41-47(36-39-65(59)72(66)50-19-5-2-6-20-50)48-35-38-58-57-27-13-16-30-63(57)69(64(58)43-48)61-28-14-11-25-55(61)56-26-12-15-29-62(56)69/h1-34,36-37,39-43H,35,38H2
InChIKeyWUNRWJLVZJOBSJ-UHFFFAOYSA-N
XLogP17.46
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.14
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-[4-[2-[2-[9-phenyl-6-(2-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole
CID 70908934
2-[4-[2-[2-[6-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59228335
2-[4-[2-[2-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 159721088
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
2-[4-[2-[2-[4-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]-5-phenyl-1,3,4-oxadiazole
CID 91198701
2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole
CID 89492500
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500817
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole (CID 89091015) is 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole is C1=C(c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)ccc2n3-c2ccccc2)CCC2=C1C1(c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is WUNRWJLVZJOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N3O/c1-3-17-45(18-4-1)67-70-71-68(73-67)46-33-31-44(32-34-46)51-21-7-9-23-53(51)54-24-10-8-22-52(54)49-37-40-66-60(42-49)59-41-47(36-39-65(59)72(66)50-19-5-2-6-20-50)48-35-38-58-57-27-13-16-30-63(57)69(64(58)43-48)61-28-14-11-25-55(61)56-26-12-15-29-62(56)69/h1-34,36-37,39-43H,35,38H2.
What are the key properties of 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 932.14 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[2-[2-(9-phenyl-6-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 89091015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).