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

C42H25N3O2 — CID 155366415

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1cc(-c2ccc3ccccc3c2)cc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)c1
InChIInChI=1S/C42H25N3O2/c1-2-9-27-22-29(17-16-26(27)8-1)28-10-7-11-32(23-28)45-37-20-18-30(41-43-35-12-3-5-14-39(35)46-41)24-33(37)34-25-31(19-21-38(34)45)42-44-36-13-4-6-15-40(36)47-42/h1-25H
InChIKeyRJBJWHUAYHGSPW-UHFFFAOYSA-N
MW603.68 g/mol
LogP11.22
Rot. Bonds4

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

2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole (PubChem CID 155366415) has the molecular formula C42H25N3O2 and a molecular weight of 603.68 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
PubChem CID155366415
Molecular FormulaC42H25N3O2
Molecular Weight603.68 g/mol
Exact Mass603.19
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
SMILESc1cc(-c2ccc3ccccc3c2)cc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)c1
InChIInChI=1S/C42H25N3O2/c1-2-9-27-22-29(17-16-26(27)8-1)28-10-7-11-32(23-28)45-37-20-18-30(41-43-35-12-3-5-14-39(35)46-41)24-33(37)34-25-31(19-21-38(34)45)42-44-36-13-4-6-15-40(36)47-42/h1-25H
InChIKeyRJBJWHUAYHGSPW-UHFFFAOYSA-N
XLogP11.22
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.68
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 147387769
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[6-(1,3-benzoxazol-2-yl)-9-[3-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366409
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
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-[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
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 171851966
N-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 160958614
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;bis(2-[6-(1,3-benzoxazol-2-yl)-9-[3-naphthalen-2-yl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole);2-[6-(1,3-benzoxazol-2-yl)-9-[3-(4-phenylphenyl)-5-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(4-phenylphenyl)-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 160762846

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole (CID 155366415) is 2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole is c1cc(-c2ccc3ccccc3c2)cc(-n2c3ccc(-c4nc5ccccc5o4)cc3c3cc(-c4nc5ccccc5o4)ccc32)c1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is RJBJWHUAYHGSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O2/c1-2-9-27-22-29(17-16-26(27)8-1)28-10-7-11-32(23-28)45-37-20-18-30(41-43-35-12-3-5-14-39(35)46-41)24-33(37)34-25-31(19-21-38(34)45)42-44-36-13-4-6-15-40(36)47-42/h1-25H.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 603.68 g/mol, XLogP of 11.22, 4 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-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 155366415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).