4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole

C37H31NO — CID 135249640

IUPAC4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)OC1(C)C
InChIInChI=1S/C37H31NO/c1-36(2)37(3,4)39-35(38-36)26-16-11-15-25(23-26)33-29-18-7-9-20-31(29)34(32-21-10-8-19-30(32)33)28-22-12-14-24-13-5-6-17-27(24)28/h5-23H,1-4H3
InChIKeyBMOWLKKHUNCDHV-UHFFFAOYSA-N
MW505.66 g/mol
LogP9.81
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole

4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole (PubChem CID 135249640) has the molecular formula C37H31NO and a molecular weight of 505.66 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole
PubChem CID135249640
Molecular FormulaC37H31NO
Molecular Weight505.66 g/mol
Exact Mass505.24
IUPAC Name4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole
SMILESCC1(C)N=C(c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)OC1(C)C
InChIInChI=1S/C37H31NO/c1-36(2)37(3,4)39-35(38-36)26-16-11-15-25(23-26)33-29-18-7-9-20-31(29)34(32-21-10-8-19-30(32)33)28-22-12-14-24-13-5-6-17-27(24)28/h5-23H,1-4H3
InChIKeyBMOWLKKHUNCDHV-UHFFFAOYSA-N
XLogP9.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10,10,12,12-tetramethyl-11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[2,1-b]fluorene
CID 161253003
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
CID 135249758
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene
CID 160961587
7,7-dimethyl-8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole (CID 135249640) is 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole is CC1(C)N=C(c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole?
The InChIKey is BMOWLKKHUNCDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31NO/c1-36(2)37(3,4)39-35(38-36)26-16-11-15-25(23-26)33-29-18-7-9-20-31(29)34(32-21-10-8-19-30(32)33)28-22-12-14-24-13-5-6-17-27(24)28/h5-23H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole?
4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole has a molecular weight of 505.66 g/mol, XLogP of 9.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 135249640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).