2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole

C45H30N2O2 — CID 164803934

IUPAC2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESCC1(C)c2cc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C45H30N2O2/c1-45(2)36-21-19-27-10-3-4-13-34(27)42(36)35-20-18-30(26-37(35)45)28-11-9-12-29(22-28)31-23-32(43-46-38-14-5-7-16-40(38)48-43)25-33(24-31)44-47-39-15-6-8-17-41(39)49-44/h3-26H,1-2H3
InChIKeyOMMQOWPYLWODDI-UHFFFAOYSA-N
MW630.75 g/mol
LogP12.10
Rot. Bonds4

About 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole

2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 164803934) has the molecular formula C45H30N2O2 and a molecular weight of 630.75 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
PubChem CID164803934
Molecular FormulaC45H30N2O2
Molecular Weight630.75 g/mol
Exact Mass630.23
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESCC1(C)c2cc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C45H30N2O2/c1-45(2)36-21-19-27-10-3-4-13-34(27)42(36)35-20-18-30(26-37(35)45)28-11-9-12-29(22-28)31-23-32(43-46-38-14-5-7-16-40(38)48-43)25-33(24-31)44-47-39-15-6-8-17-41(39)49-44/h3-26H,1-2H3
InChIKeyOMMQOWPYLWODDI-UHFFFAOYSA-N
XLogP12.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803892
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164804030
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164962226
2-[3-(1,3-benzoxazol-2-yl)-5-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803799
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803850
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803936
2-[3-(1,3-benzoxazol-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1,3-benzoxazole
CID 164803998
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803933
2-[4-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-benzoxazole
CID 164803943
2-[3-(1,3-benzoxazol-2-yl)-5-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-8-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-2-yl)phenyl]-1,3-benzoxazole;2-[3-(1,3-benzoxazol-2-yl)-5-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)phenyl]-1,3-benzoxazole
CID 165111135
2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]-1,3-benzoxazole
CID 58411999
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803928

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole (CID 164803934) is 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole is CC1(C)c2cc(-c3cccc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)c3)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is OMMQOWPYLWODDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O2/c1-45(2)36-21-19-27-10-3-4-13-34(27)42(36)35-20-18-30(26-37(35)45)28-11-9-12-29(22-28)31-23-32(43-46-38-14-5-7-16-40(38)48-43)25-33(24-31)44-47-39-15-6-8-17-41(39)49-44/h3-26H,1-2H3.
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole?
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 630.75 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 164803934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).