N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine

C49H29N3O3 — CID 167125219

IUPACN-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3ccc4oc5cc(N(c6cccc7oc8ccccc8c67)c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c4c3o2)cc1
InChIInChI=1S/C49H29N3O3/c1-3-13-30(14-4-1)49-50-37-27-28-43-46(48(37)55-49)36-26-25-32(29-44(36)54-43)51(39-21-12-24-42-45(39)35-18-8-10-23-41(35)53-42)40-22-11-19-34-33-17-7-9-20-38(33)52(47(34)40)31-15-5-2-6-16-31/h1-29H
InChIKeyLKIHUHDOUBEXRV-UHFFFAOYSA-N
MW707.79 g/mol
LogP13.86
Rot. Bonds5

About N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine

N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine (PubChem CID 167125219) has the molecular formula C49H29N3O3 and a molecular weight of 707.79 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
PubChem CID167125219
Molecular FormulaC49H29N3O3
Molecular Weight707.79 g/mol
Exact Mass707.22
IUPAC NameN-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2nc3ccc4oc5cc(N(c6cccc7oc8ccccc8c67)c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c4c3o2)cc1
InChIInChI=1S/C49H29N3O3/c1-3-13-30(14-4-1)49-50-37-27-28-43-46(48(37)55-49)36-26-25-32(29-44(36)54-43)51(39-21-12-24-42-45(39)35-18-8-10-23-41(35)53-42)40-22-11-19-34-33-17-7-9-20-38(33)52(47(34)40)31-15-5-2-6-16-31/h1-29H
InChIKeyLKIHUHDOUBEXRV-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

2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123428
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125257
2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
CID 167123589
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124467
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124431
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
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-1-yl-2-phenyl-N-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128648
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine
CID 167128927

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine (CID 167125219) is N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The canonical SMILES for N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine is c1ccc(-c2nc3ccc4oc5cc(N(c6cccc7oc8ccccc8c67)c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c4c3o2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
The InChIKey is LKIHUHDOUBEXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O3/c1-3-13-30(14-4-1)49-50-37-27-28-43-46(48(37)55-49)36-26-25-32(29-44(36)54-43)51(39-21-12-24-42-45(39)35-18-8-10-23-41(35)53-42)40-22-11-19-34-33-17-7-9-20-38(33)52(47(34)40)31-15-5-2-6-16-31/h1-29H.
What are the key properties of N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine?
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-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-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167125219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).