4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole

C41H26N2O — CID 59228162

IUPAC4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6c(-c7cccc8ccccc78)cccc6o5)cc4)ccc32)cc1
InChIInChI=1S/C41H26N2O/c1-2-12-31(13-3-1)43-37-18-7-6-15-34(37)36-26-30(24-25-38(36)43)27-20-22-29(23-21-27)41-42-40-35(17-9-19-39(40)44-41)33-16-8-11-28-10-4-5-14-32(28)33/h1-26H
InChIKeyUJQPEWUNDXPJLF-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.08
Rot. Bonds4

About 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole

4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (PubChem CID 59228162) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
PubChem CID59228162
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6c(-c7cccc8ccccc78)cccc6o5)cc4)ccc32)cc1
InChIInChI=1S/C41H26N2O/c1-2-12-31(13-3-1)43-37-18-7-6-15-34(37)36-26-30(24-25-38(36)43)27-20-22-29(23-21-27)41-42-40-35(17-9-19-39(40)44-41)33-16-8-11-28-10-4-5-14-32(28)33/h1-26H
InChIKeyUJQPEWUNDXPJLF-UHFFFAOYSA-N
XLogP11.08
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
4-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228094
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
2-[4-[2-[2-[6-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59228335
4-(1-methylcyclobutyl)-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 130382403

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole (CID 59228162) is 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6c(-c7cccc8ccccc78)cccc6o5)cc4)ccc32)cc1.
What is the InChIKey of 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
The InChIKey is UJQPEWUNDXPJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-12-31(13-3-1)43-37-18-7-6-15-34(37)36-26-30(24-25-38(36)43)27-20-22-29(23-21-27)41-42-40-35(17-9-19-39(40)44-41)33-16-8-11-28-10-4-5-14-32(28)33/h1-26H.
What are the key properties of 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole?
4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole has a molecular weight of 562.67 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).