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

C75H57N3O — CID 91198701

IUPAC2-[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
SMILESCC1(c2ccccc2-c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc2)C=CC(c2nnc(-c3ccccc3)o2)=CC1
InChIInChI=1S/C75H57N3O/c1-73(2)64-24-14-11-22-58(64)60-35-29-52(45-67(60)73)50-31-37-69-62(43-50)63-44-51(53-30-36-61-59-23-12-15-25-65(59)74(3,4)68(61)46-53)32-38-70(63)78(69)54-33-27-47(28-34-54)55-19-9-10-20-56(55)57-21-13-16-26-66(57)75(5)41-39-49(40-42-75)72-77-76-71(79-72)48-17-7-6-8-18-48/h6-41,43-46H,42H2,1-5H3
InChIKeyWHSMFBGDOUYHMM-UHFFFAOYSA-N
MW1016.30 g/mol
LogP19.42
Rot. Bonds8

About 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

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 (PubChem CID 91198701) has the molecular formula C75H57N3O and a molecular weight of 1016.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID91198701
Molecular FormulaC75H57N3O
Molecular Weight1016.30 g/mol
Exact Mass1015.45
IUPAC Name2-[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
SMILESCC1(c2ccccc2-c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc2)C=CC(c2nnc(-c3ccccc3)o2)=CC1
InChIInChI=1S/C75H57N3O/c1-73(2)64-24-14-11-22-58(64)60-35-29-52(45-67(60)73)50-31-37-69-62(43-50)63-44-51(53-30-36-61-59-23-12-15-25-65(59)74(3,4)68(61)46-53)32-38-70(63)78(69)54-33-27-47(28-34-54)55-19-9-10-20-56(55)57-21-13-16-26-66(57)75(5)41-39-49(40-42-75)72-77-76-71(79-72)48-17-7-6-8-18-48/h6-41,43-46H,42H2,1-5H3
InChIKeyWHSMFBGDOUYHMM-UHFFFAOYSA-N
XLogP19.42
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.30
LogP ≤ 519.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 166008017
9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137484612
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
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 129312503
2-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59227970
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
N-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472228
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(c2ccccc2-c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc43)cc2)C=CC(c2nnc(-c3ccccc3)o2)=CC1.
What is the InChIKey of 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?
The InChIKey is WHSMFBGDOUYHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H57N3O/c1-73(2)64-24-14-11-22-58(64)60-35-29-52(45-67(60)73)50-31-37-69-62(43-50)63-44-51(53-30-36-61-59-23-12-15-25-65(59)74(3,4)68(61)46-53)32-38-70(63)78(69)54-33-27-47(28-34-54)55-19-9-10-20-56(55)57-21-13-16-26-66(57)75(5)41-39-49(40-42-75)72-77-76-71(79-72)48-17-7-6-8-18-48/h6-41,43-46H,42H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 1016.30 g/mol, XLogP of 19.42, 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-[3,6-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 is sourced from PubChem (CID 91198701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).