2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole

C66H48N4O2 — CID 88590536

IUPAC2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccn5)nc4-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7nc8ccccc8o7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3nc4c(o3)CCC=C4)cc21
InChIInChI=1S/C66H48N4O2/c1-65(2)52-35-43(24-28-48(52)50-30-26-45(37-54(50)65)63-69-58-12-5-7-14-60(58)71-63)39-16-20-41(21-17-39)47-32-33-57(56-11-9-10-34-67-56)68-62(47)42-22-18-40(19-23-42)44-25-29-49-51-31-27-46(38-55(51)66(3,4)53(49)36-44)64-70-59-13-6-8-15-61(59)72-64/h5-6,8-13,15-38H,7,14H2,1-4H3
InChIKeyZIJHQKDSVDUPKN-UHFFFAOYSA-N
MW929.14 g/mol
LogP16.85
Rot. Bonds7

About 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole

2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole (PubChem CID 88590536) has the molecular formula C66H48N4O2 and a molecular weight of 929.14 g/mol. Its IUPAC name is 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole
PubChem CID88590536
Molecular FormulaC66H48N4O2
Molecular Weight929.14 g/mol
Exact Mass928.38
IUPAC Name2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccn5)nc4-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7nc8ccccc8o7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3nc4c(o3)CCC=C4)cc21
InChIInChI=1S/C66H48N4O2/c1-65(2)52-35-43(24-28-48(52)50-30-26-45(37-54(50)65)63-69-58-12-5-7-14-60(58)71-63)39-16-20-41(21-17-39)47-32-33-57(56-11-9-10-34-67-56)68-62(47)42-22-18-40(19-23-42)44-25-29-49-51-31-27-46(38-55(51)66(3,4)53(49)36-44)64-70-59-13-6-8-15-61(59)72-64/h5-6,8-13,15-38H,7,14H2,1-4H3
InChIKeyZIJHQKDSVDUPKN-UHFFFAOYSA-N
XLogP16.85
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.14
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole (CID 88590536) is 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccccn5)nc4-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7nc8ccccc8o7)ccc5-6)cc4)cc3)ccc2-c2ccc(-c3nc4c(o3)CCC=C4)cc21.
What is the InChIKey of 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole?
The InChIKey is ZIJHQKDSVDUPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N4O2/c1-65(2)52-35-43(24-28-48(52)50-30-26-45(37-54(50)65)63-69-58-12-5-7-14-60(58)71-63)39-16-20-41(21-17-39)47-32-33-57(56-11-9-10-34-67-56)68-62(47)42-22-18-40(19-23-42)44-25-29-49-51-31-27-46(38-55(51)66(3,4)53(49)36-44)64-70-59-13-6-8-15-61(59)72-64/h5-6,8-13,15-38H,7,14H2,1-4H3.
What are the key properties of 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole?
2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole has a molecular weight of 929.14 g/mol, XLogP of 16.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-[3-[4-[7-(6,7-dihydro-1,3-benzoxazol-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 88590536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).