2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

C37H24N2O2 — CID 167453721

IUPAC2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-c2ccc3oc4ccc5c(c4c3c2)NC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)O5)cc1
InChIInChI=1S/C37H24N2O2/c1-2-8-23(9-3-1)25-16-19-32-29(22-25)35-33(40-32)20-21-34-36(35)38-37(41-34)24-14-17-26(18-15-24)39-30-12-6-4-10-27(30)28-11-5-7-13-31(28)39/h1-22,37-38H
InChIKeyOXMWGPYFCVMYGH-UHFFFAOYSA-N
MW528.61 g/mol
LogP9.85
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (PubChem CID 167453721) has the molecular formula C37H24N2O2 and a molecular weight of 528.61 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
PubChem CID167453721
Molecular FormulaC37H24N2O2
Molecular Weight528.61 g/mol
Exact Mass528.18
IUPAC Name2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-c2ccc3oc4ccc5c(c4c3c2)NC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)O5)cc1
InChIInChI=1S/C37H24N2O2/c1-2-8-23(9-3-1)25-16-19-32-29(22-25)35-33(40-32)20-21-34-36(35)38-37(41-34)24-14-17-26(18-15-24)39-30-12-6-4-10-27(30)28-11-5-7-13-31(28)39/h1-22,37-38H
InChIKeyOXMWGPYFCVMYGH-UHFFFAOYSA-N
XLogP9.85
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 59.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453052
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454048
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
CID 58510759
2-(9-phenyl-1,2-dihydrocarbazol-3-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167452888
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (CID 167453721) is 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is c1ccc(-c2ccc3oc4ccc5c(c4c3c2)NC(c2ccc(-n3c4ccccc4c4ccccc43)cc2)O5)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The InChIKey is OXMWGPYFCVMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O2/c1-2-8-23(9-3-1)25-16-19-32-29(22-25)35-33(40-32)20-21-34-36(35)38-37(41-34)24-14-17-26(18-15-24)39-30-12-6-4-10-27(30)28-11-5-7-13-31(28)39/h1-22,37-38H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole has a molecular weight of 528.61 g/mol, XLogP of 9.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 167453721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).