2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole

C40H28N2O — CID 59228240

IUPAC2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6nc7ccccc7o6)cc5)ccc43)cc21
InChIInChI=1S/C40H28N2O/c1-40(2)33-11-5-3-9-29(33)30-21-20-28(24-34(30)40)42-36-13-7-4-10-31(36)32-23-27(19-22-37(32)42)25-15-17-26(18-16-25)39-41-35-12-6-8-14-38(35)43-39/h3-24H,1-2H3
InChIKeyBWGIRXGYUAYUKN-UHFFFAOYSA-N
MW552.68 g/mol
LogP10.57
Rot. Bonds3

About 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole

2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole (PubChem CID 59228240) has the molecular formula C40H28N2O and a molecular weight of 552.68 g/mol. Its IUPAC name is 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
PubChem CID59228240
Molecular FormulaC40H28N2O
Molecular Weight552.68 g/mol
Exact Mass552.22
IUPAC Name2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6nc7ccccc7o6)cc5)ccc43)cc21
InChIInChI=1S/C40H28N2O/c1-40(2)33-11-5-3-9-29(33)30-21-20-28(24-34(30)40)42-36-13-7-4-10-31(36)32-23-27(19-22-37(32)42)25-15-17-26(18-16-25)39-41-35-12-6-8-14-38(35)43-39/h3-24H,1-2H3
InChIKeyBWGIRXGYUAYUKN-UHFFFAOYSA-N
XLogP10.57
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59227970
2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole
CID 155366299
2-[4-[4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227982
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole (CID 59228240) is 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6nc7ccccc7o6)cc5)ccc43)cc21.
What is the InChIKey of 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
The InChIKey is BWGIRXGYUAYUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O/c1-40(2)33-11-5-3-9-29(33)30-21-20-28(24-34(30)40)42-36-13-7-4-10-31(36)32-23-27(19-22-37(32)42)25-15-17-26(18-16-25)39-41-35-12-6-8-14-38(35)43-39/h3-24H,1-2H3.
What are the key properties of 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole?
2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole has a molecular weight of 552.68 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).