2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole

C41H27N3O2 — CID 155366299

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)ccc21
InChIInChI=1S/C41H27N3O2/c1-41(2)31-10-4-3-9-27(31)28-23-26(17-18-32(28)41)44-35-19-15-24(39-42-33-11-5-7-13-37(33)45-39)21-29(35)30-22-25(16-20-36(30)44)40-43-34-12-6-8-14-38(34)46-40/h3-23H,1-2H3
InChIKeyPCEDZTYURJBGCR-UHFFFAOYSA-N
MW593.69 g/mol
LogP10.71
Rot. Bonds3

About 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole

2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole (PubChem CID 155366299) has the molecular formula C41H27N3O2 and a molecular weight of 593.69 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole
PubChem CID155366299
Molecular FormulaC41H27N3O2
Molecular Weight593.69 g/mol
Exact Mass593.21
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)ccc21
InChIInChI=1S/C41H27N3O2/c1-41(2)31-10-4-3-9-27(31)28-23-26(17-18-32(28)41)44-35-19-15-24(39-42-33-11-5-7-13-37(33)45-39)21-29(35)30-22-25(16-20-36(30)44)40-43-34-12-6-8-14-38(34)46-40/h3-23H,1-2H3
InChIKeyPCEDZTYURJBGCR-UHFFFAOYSA-N
XLogP10.71
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.69
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228240
2-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59227970
2-[4-[4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227982
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[10,10-dimethyl-14,21-di(phenanthren-9-yl)-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]-1,3-benzoxazole
CID 58411964
2-[3-(1,3-benzoxazol-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1,3-benzoxazole
CID 164803998
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole (CID 155366299) is 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole is CC1(C)c2ccccc2-c2cc(-n3c4ccc(-c5nc6ccccc6o5)cc4c4cc(-c5nc6ccccc6o5)ccc43)ccc21.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is PCEDZTYURJBGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O2/c1-41(2)31-10-4-3-9-27(31)28-23-26(17-18-32(28)41)44-35-19-15-24(39-42-33-11-5-7-13-37(33)45-39)21-29(35)30-22-25(16-20-36(30)44)40-43-34-12-6-8-14-38(34)46-40/h3-23H,1-2H3.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 593.69 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 155366299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).