2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole

C43H29FN2O — CID 143952697

IUPAC2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)cc3)nc2c1
InChIInChI=1S/C43H29FN2O/c44-31-23-26-42-39(27-31)45-43(47-42)30-19-17-28(18-20-30)33-9-1-3-11-35(33)36-12-4-2-10-34(36)29-21-24-32(25-22-29)46-40-15-7-5-13-37(40)38-14-6-8-16-41(38)46/h1-5,7-13,15-27H,6,14H2
InChIKeyMQCLHFOYAROPJM-UHFFFAOYSA-N
MW608.72 g/mol
LogP11.54
Rot. Bonds5

About 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole

2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole (PubChem CID 143952697) has the molecular formula C43H29FN2O and a molecular weight of 608.72 g/mol. Its IUPAC name is 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole
PubChem CID143952697
Molecular FormulaC43H29FN2O
Molecular Weight608.72 g/mol
Exact Mass608.23
IUPAC Name2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole
SMILESFc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)cc3)nc2c1
InChIInChI=1S/C43H29FN2O/c44-31-23-26-42-39(27-31)45-43(47-42)30-19-17-28(18-20-30)33-9-1-3-11-35(33)36-12-4-2-10-34(36)29-21-24-32(25-22-29)46-40-15-7-5-13-37(40)38-14-6-8-16-41(38)46/h1-5,7-13,15-27H,6,14H2
InChIKeyMQCLHFOYAROPJM-UHFFFAOYSA-N
XLogP11.54
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.72
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 59228349
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
4-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenyl]-2,6-diphenyl-1,3-benzoxazole
CID 146670090
5-methyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228340
2-[4-[2-[2-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228443
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
CID 138565327
2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole
CID 143952806
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole?
The IUPAC name of 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole (CID 143952697) is 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole is Fc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)cc3)nc2c1.
What is the InChIKey of 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole?
The InChIKey is MQCLHFOYAROPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29FN2O/c44-31-23-26-42-39(27-31)45-43(47-42)30-19-17-28(18-20-30)33-9-1-3-11-35(33)36-12-4-2-10-34(36)29-21-24-32(25-22-29)46-40-15-7-5-13-37(40)38-14-6-8-16-41(38)46/h1-5,7-13,15-27H,6,14H2.
What are the key properties of 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole?
2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole has a molecular weight of 608.72 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-fluoro-1,3-benzoxazole is sourced from PubChem (CID 143952697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).