5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole

C43H26N2O — CID 148660964

IUPAC5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole
SMILESc1ccc2c(-c3c4ccccc4c(-c4nc5cc(-n6c7ccccc7c7ccccc76)ccc5o4)c4ccccc34)cccc2c1
InChIInChI=1S/C43H26N2O/c1-2-14-29-27(12-1)13-11-21-32(29)41-33-17-3-5-19-35(33)42(36-20-6-4-18-34(36)41)43-44-37-26-28(24-25-40(37)46-43)45-38-22-9-7-15-30(38)31-16-8-10-23-39(31)45/h1-26H
InChIKeyNNTVKWKQPJYCMQ-UHFFFAOYSA-N
MW586.69 g/mol
LogP11.72
Rot. Bonds3

About 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole

5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole (PubChem CID 148660964) has the molecular formula C43H26N2O and a molecular weight of 586.69 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole
PubChem CID148660964
Molecular FormulaC43H26N2O
Molecular Weight586.69 g/mol
Exact Mass586.20
IUPAC Name5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole
SMILESc1ccc2c(-c3c4ccccc4c(-c4nc5cc(-n6c7ccccc7c7ccccc76)ccc5o4)c4ccccc34)cccc2c1
InChIInChI=1S/C43H26N2O/c1-2-14-29-27(12-1)13-11-21-32(29)41-33-17-3-5-19-35(33)42(36-20-6-4-18-34(36)41)43-44-37-26-28(24-25-40(37)46-43)45-38-22-9-7-15-30(38)31-16-8-10-23-39(31)45/h1-26H
InChIKeyNNTVKWKQPJYCMQ-UHFFFAOYSA-N
XLogP11.72
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole
CID 59220010
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 59228349
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 59228233
5-methyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228340
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-benzoxazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,3-benzoxazole
CID 159053845
2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
CID 126702335
5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
CID 59188552

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole?
The IUPAC name of 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole (CID 148660964) is 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole?
The canonical SMILES for 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole is c1ccc2c(-c3c4ccccc4c(-c4nc5cc(-n6c7ccccc7c7ccccc76)ccc5o4)c4ccccc34)cccc2c1.
What is the InChIKey of 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole?
The InChIKey is NNTVKWKQPJYCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O/c1-2-14-29-27(12-1)13-11-21-32(29)41-33-17-3-5-19-35(33)42(36-20-6-4-18-34(36)41)43-44-37-26-28(24-25-40(37)46-43)45-38-22-9-7-15-30(38)31-16-8-10-23-39(31)45/h1-26H.
What are the key properties of 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole?
5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole has a molecular weight of 586.69 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3-benzoxazole is sourced from PubChem (CID 148660964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).