N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine

C49H29N3O3 — CID 167128284

IUPACN-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2cc(N(c3ccc5c(c3)oc3ccccc35)c3cccc5c3c3ccccc3n5-c3ccccc3)ccc24)cc1
InChIInChI=1S/C49H29N3O3/c1-3-12-30(13-4-1)49-50-39-28-38-36-25-23-33(27-45(36)54-46(38)29-47(39)55-49)51(32-22-24-35-34-16-8-10-21-43(34)53-44(35)26-32)41-19-11-20-42-48(41)37-17-7-9-18-40(37)52(42)31-14-5-2-6-15-31/h1-29H
InChIKeyONCAXBLISGZUJP-UHFFFAOYSA-N
MW707.79 g/mol
LogP13.86
Rot. Bonds5

About N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine

N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine (PubChem CID 167128284) has the molecular formula C49H29N3O3 and a molecular weight of 707.79 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
PubChem CID167128284
Molecular FormulaC49H29N3O3
Molecular Weight707.79 g/mol
Exact Mass707.22
IUPAC NameN-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
SMILESc1ccc(-c2nc3cc4c(cc3o2)oc2cc(N(c3ccc5c(c3)oc3ccccc35)c3cccc5c3c3ccccc3n5-c3ccccc3)ccc24)cc1
InChIInChI=1S/C49H29N3O3/c1-3-12-30(13-4-1)49-50-39-28-38-36-25-23-33(27-45(36)54-46(38)29-47(39)55-49)51(32-22-24-35-34-16-8-10-21-43(34)53-44(35)26-32)41-19-11-20-42-48(41)37-17-7-9-18-40(37)52(42)31-14-5-2-6-15-31/h1-29H
InChIKeyONCAXBLISGZUJP-UHFFFAOYSA-N
XLogP13.86
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.79
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167130023
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167128330
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 170776846
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128648
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123428
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128479
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167127943
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
CID 167130031
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124431
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127385
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 167130106

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine?
The IUPAC name of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine (CID 167128284) is N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine?
The canonical SMILES for N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine is c1ccc(-c2nc3cc4c(cc3o2)oc2cc(N(c3ccc5c(c3)oc3ccccc35)c3cccc5c3c3ccccc3n5-c3ccccc3)ccc24)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine?
The InChIKey is ONCAXBLISGZUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O3/c1-3-12-30(13-4-1)49-50-39-28-38-36-25-23-33(27-45(36)54-46(38)29-47(39)55-49)51(32-22-24-35-34-16-8-10-21-43(34)53-44(35)26-32)41-19-11-20-42-48(41)37-17-7-9-18-40(37)52(42)31-14-5-2-6-15-31/h1-29H.
What are the key properties of N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine?
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine has a molecular weight of 707.79 g/mol, XLogP of 13.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine is sourced from PubChem (CID 167128284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).