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

C37H24N2O2 — CID 167453052

IUPAC2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5Nc6c(ccc7oc8ccccc8c67)O5)cc4)cc32)cc1
InChIInChI=1S/C37H24N2O2/c1-2-8-26(9-3-1)39-30-12-6-4-10-27(30)28-19-18-25(22-31(28)39)23-14-16-24(17-15-23)37-38-36-34(41-37)21-20-33-35(36)29-11-5-7-13-32(29)40-33/h1-22,37-38H
InChIKeyNBENZHAWCFMWRE-UHFFFAOYSA-N
MW528.61 g/mol
LogP9.85
Rot. Bonds3

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

2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (PubChem CID 167453052) has the molecular formula C37H24N2O2 and a molecular weight of 528.61 g/mol. Its IUPAC name is 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.

Molecular Properties

Compound Name2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
PubChem CID167453052
Molecular FormulaC37H24N2O2
Molecular Weight528.61 g/mol
Exact Mass528.18
IUPAC Name2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5Nc6c(ccc7oc8ccccc8c67)O5)cc4)cc32)cc1
InChIInChI=1S/C37H24N2O2/c1-2-8-26(9-3-1)39-30-12-6-4-10-27(30)28-19-18-25(22-31(28)39)23-14-16-24(17-15-23)37-38-36-34(41-37)21-20-33-35(36)29-11-5-7-13-32(29)40-33/h1-22,37-38H
InChIKeyNBENZHAWCFMWRE-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-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453721
2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454048
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
2-(9-phenyl-1,2-dihydrocarbazol-3-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167452888
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033598
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453325
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
3-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-14-one
CID 118248423
9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The IUPAC name of 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (CID 167453052) is 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.
What is the SMILES notation for 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The canonical SMILES for 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5Nc6c(ccc7oc8ccccc8c67)O5)cc4)cc32)cc1.
What is the InChIKey of 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The InChIKey is NBENZHAWCFMWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O2/c1-2-8-26(9-3-1)39-30-12-6-4-10-27(30)28-19-18-25(22-31(28)39)23-14-16-24(17-15-23)37-38-36-34(41-37)21-20-33-35(36)29-11-5-7-13-32(29)40-33/h1-22,37-38H.
What are the key properties of 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
2-[4-(9-phenylcarbazol-2-yl)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-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 167453052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).