2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole

C37H26N2O — CID 58556626

IUPAC2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole
SMILESCc1c(C)n(-c2ccc3ccccc3c2)c2c1ccc1c(-c3ccc(-c4nc5ccccc5o4)cc3)cccc12
InChIInChI=1S/C37H26N2O/c1-23-24(2)39(29-19-18-25-8-3-4-9-28(25)22-29)36-30(23)20-21-32-31(10-7-11-33(32)36)26-14-16-27(17-15-26)37-38-34-12-5-6-13-35(34)40-37/h3-22H,1-2H3
InChIKeyVKRSJCWRXBHOBX-UHFFFAOYSA-N
MW514.63 g/mol
LogP10.03
Rot. Bonds3

About 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole

2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole (PubChem CID 58556626) has the molecular formula C37H26N2O and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole
PubChem CID58556626
Molecular FormulaC37H26N2O
Molecular Weight514.63 g/mol
Exact Mass514.20
IUPAC Name2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole
SMILESCc1c(C)n(-c2ccc3ccccc3c2)c2c1ccc1c(-c3ccc(-c4nc5ccccc5o4)cc3)cccc12
InChIInChI=1S/C37H26N2O/c1-23-24(2)39(29-19-18-25-8-3-4-9-28(25)22-29)36-30(23)20-21-32-31(10-7-11-33(32)36)26-14-16-27(17-15-26)37-38-34-12-5-6-13-35(34)40-37/h3-22H,1-2H3
InChIKeyVKRSJCWRXBHOBX-UHFFFAOYSA-N
XLogP10.03
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole
CID 58175201
2,3-dimethyl-1,6-bis(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole;2-[4-[1-(9,9-dimethylfluoren-2-yl)-2,3-dimethylbenzo[g]indol-6-yl]phenyl]-1,3-benzoxazole;2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole;2,3-dimethyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole;1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,3-dimethyl-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
CID 161045816
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
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-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
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-[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
6-(7-benzo[a]carbazol-11-yldibenzofuran-1-yl)-2-phenyl-1,3-benzoxazole
CID 171755340
2-[4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 70958718
2-[4-[12-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzoxazole
CID 166583478

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole (CID 58556626) is 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole is Cc1c(C)n(-c2ccc3ccccc3c2)c2c1ccc1c(-c3ccc(-c4nc5ccccc5o4)cc3)cccc12.
What is the InChIKey of 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole?
The InChIKey is VKRSJCWRXBHOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2O/c1-23-24(2)39(29-19-18-25-8-3-4-9-28(25)22-29)36-30(23)20-21-32-31(10-7-11-33(32)36)26-14-16-27(17-15-26)37-38-34-12-5-6-13-35(34)40-37/h3-22H,1-2H3.
What are the key properties of 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole?
2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole has a molecular weight of 514.63 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 58556626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).