2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole

C32H21NO — CID 146581616

IUPAC2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3o2)cc1
InChIInChI=1S/C32H21NO/c1-3-11-22(12-4-1)31-33-29-20-19-24(21-30(29)34-31)32(23-13-5-2-6-14-23)27-17-9-7-15-25(27)26-16-8-10-18-28(26)32/h1-21H
InChIKeyJMTYTIQEYUGZLA-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.86
Rot. Bonds3

About 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole

2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole (PubChem CID 146581616) has the molecular formula C32H21NO and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole
PubChem CID146581616
Molecular FormulaC32H21NO
Molecular Weight435.53 g/mol
Exact Mass435.16
IUPAC Name2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3o2)cc1
InChIInChI=1S/C32H21NO/c1-3-11-22(12-4-1)31-33-29-20-19-24(21-30(29)34-31)32(23-13-5-2-6-14-23)27-17-9-7-15-25(27)26-16-8-10-18-28(26)32/h1-21H
InChIKeyJMTYTIQEYUGZLA-UHFFFAOYSA-N
XLogP7.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
2-phenyl-6-[9-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluoren-9-yl]-1,3-benzoxazole
CID 146581854
2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole
CID 171048416
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
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
9,9-dimethyl-N-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 146581624
9,9-dimethyl-N-phenyl-N-[4-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]phenyl]fluoren-2-amine
CID 146581867
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-1,3-benzoxazol-6-amine
CID 168731450
6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 147892572
3-(1,3-benzoxazol-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 166924177
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 174262107
N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731448

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole?
The IUPAC name of 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole (CID 146581616) is 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole is c1ccc(-c2nc3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3o2)cc1.
What is the InChIKey of 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole?
The InChIKey is JMTYTIQEYUGZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO/c1-3-11-22(12-4-1)31-33-29-20-19-24(21-30(29)34-31)32(23-13-5-2-6-14-23)27-17-9-7-15-25(27)26-16-8-10-18-28(26)32/h1-21H.
What are the key properties of 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole?
2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole has a molecular weight of 435.53 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole is sourced from PubChem (CID 146581616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).