2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole

C51H32N2O2 — CID 167454007

IUPAC2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2cc3c(c4c2oc2ccccc24)OC(c2ccc(-c4ccc5c6cc7ccccc7cc6n(-c6ccc7ccccc7c6)c5c4)cc2)N3)cc1
InChIInChI=1S/C51H32N2O2/c1-2-11-33(12-3-1)42-30-44-50(48-41-16-8-9-17-47(41)54-49(42)48)55-51(52-44)34-20-18-32(19-21-34)38-23-25-40-43-27-36-14-6-7-15-37(36)28-46(43)53(45(40)29-38)39-24-22-31-10-4-5-13-35(31)26-39/h1-30,51-52H
InChIKeyLLLWYJLUCSUIQZ-UHFFFAOYSA-N
MW704.83 g/mol
LogP13.83
Rot. Bonds4

About 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole

2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 167454007) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID167454007
Molecular FormulaC51H32N2O2
Molecular Weight704.83 g/mol
Exact Mass704.25
IUPAC Name2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2cc3c(c4c2oc2ccccc24)OC(c2ccc(-c4ccc5c6cc7ccccc7cc6n(-c6ccc7ccccc7c6)c5c4)cc2)N3)cc1
InChIInChI=1S/C51H32N2O2/c1-2-11-33(12-3-1)42-30-44-50(48-41-16-8-9-17-47(41)54-49(42)48)55-51(52-44)34-20-18-32(19-21-34)38-23-25-40-43-27-36-14-6-7-15-37(36)28-46(43)53(45(40)29-38)39-24-22-31-10-4-5-13-35(31)26-39/h1-30,51-52H
InChIKeyLLLWYJLUCSUIQZ-UHFFFAOYSA-N
XLogP13.83
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 513.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213
5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454078
2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614495
N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166591712
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252386
2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453052
9-(9-methyl-4-naphthalen-2-yldibenzofuran-2-yl)-2-phenylcarbazole
CID 167228801
6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole
CID 156576285
9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 121343394
5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole
CID 167243403
N-[4-(2-benzo[b]carbazol-5-yldibenzofuran-4-yl)phenyl]-N,4-diphenylaniline
CID 156558653

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 167454007) is 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole is c1ccc(-c2cc3c(c4c2oc2ccccc24)OC(c2ccc(-c4ccc5c6cc7ccccc7cc6n(-c6ccc7ccccc7c6)c5c4)cc2)N3)cc1.
What is the InChIKey of 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is LLLWYJLUCSUIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-2-11-33(12-3-1)42-30-44-50(48-41-16-8-9-17-47(41)54-49(42)48)55-51(52-44)34-20-18-32(19-21-34)38-23-25-40-43-27-36-14-6-7-15-37(36)28-46(43)53(45(40)29-38)39-24-22-31-10-4-5-13-35(31)26-39/h1-30,51-52H.
What are the key properties of 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole?
2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 704.83 g/mol, XLogP of 13.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-naphthalen-2-ylbenzo[b]carbazol-3-yl)phenyl]-5-phenyl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167454007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).