6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole

C56H35N3O — CID 147892572

IUPAC6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(C4(c5ccc(-c6nc(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc7n6)cc5)c5ccccc5-c5ccccc54)cc3o2)cc1
InChIInChI=1S/C56H35N3O/c1-2-13-40(14-3-1)55-58-51-33-32-44(35-52(51)60-55)56(48-19-9-6-16-45(48)46-17-7-10-20-49(46)56)43-30-28-39(29-31-43)54-57-50-21-11-8-18-47(50)53(59-54)38-25-22-37(23-26-38)42-27-24-36-12-4-5-15-41(36)34-42/h1-35H
InChIKeyICOPSGQFYVRCOW-UHFFFAOYSA-N
MW765.92 g/mol
LogP13.96
Rot. Bonds6

About 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole

6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 147892572) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol. Its IUPAC name is 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
PubChem CID147892572
Molecular FormulaC56H35N3O
Molecular Weight765.92 g/mol
Exact Mass765.28
IUPAC Name6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(C4(c5ccc(-c6nc(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc7n6)cc5)c5ccccc5-c5ccccc54)cc3o2)cc1
InChIInChI=1S/C56H35N3O/c1-2-13-40(14-3-1)55-58-51-33-32-44(35-52(51)60-55)56(48-19-9-6-16-45(48)46-17-7-10-20-49(46)56)43-30-28-39(29-31-43)54-57-50-21-11-8-18-47(50)53(59-54)38-25-22-37(23-26-38)42-27-24-36-12-4-5-15-41(36)34-42/h1-35H
InChIKeyICOPSGQFYVRCOW-UHFFFAOYSA-N
XLogP13.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146582036
6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146581619
2-phenyl-6-[9-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluoren-9-yl]-1,3-benzoxazole
CID 146581854
6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146582063
2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole
CID 146581616
2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 147685695
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
4-(4-naphthalen-2-ylphenyl)-2-[7-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-9,9-diphenylfluoren-2-yl]quinazoline
CID 144856654
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 146581603
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline;2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)quinazoline;2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-phenylbenzo[h]quinazoline
CID 161413530

Frequently Asked Questions

What is the IUPAC name of 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole (CID 147892572) is 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3ccc(C4(c5ccc(-c6nc(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc7n6)cc5)c5ccccc5-c5ccccc54)cc3o2)cc1.
What is the InChIKey of 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is ICOPSGQFYVRCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-2-13-40(14-3-1)55-58-51-33-32-44(35-52(51)60-55)56(48-19-9-6-16-45(48)46-17-7-10-20-49(46)56)43-30-28-39(29-31-43)54-57-50-21-11-8-18-47(50)53(59-54)38-25-22-37(23-26-38)42-27-24-36-12-4-5-15-41(36)34-42/h1-35H.
What are the key properties of 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole?
6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 765.92 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 147892572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).