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

C49H31N3O2 — CID 167129379

IUPAC2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c4oc(-c5ccccc5)nc4cc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C49H31N3O2/c1-4-15-32(16-5-1)34-19-14-22-36(29-34)51(37-27-28-43-40(30-37)38-23-10-12-25-42(38)52(43)35-20-8-3-9-21-35)47-46-39-24-11-13-26-44(39)53-45(46)31-41-48(47)54-49(50-41)33-17-6-2-7-18-33/h1-31H
InChIKeyABVJZKGRMRGOFK-UHFFFAOYSA-N
MW693.81 g/mol
LogP13.63
Rot. Bonds6

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

2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine (PubChem CID 167129379) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
PubChem CID167129379
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c4oc(-c5ccccc5)nc4cc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C49H31N3O2/c1-4-15-32(16-5-1)34-19-14-22-36(29-34)51(37-27-28-43-40(30-37)38-23-10-12-25-42(38)52(43)35-20-8-3-9-21-35)47-46-39-24-11-13-26-44(39)53-45(46)31-41-48(47)54-49(50-41)33-17-6-2-7-18-33/h1-31H
InChIKeyABVJZKGRMRGOFK-UHFFFAOYSA-N
XLogP13.63
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128694
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167127147
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631565
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124431
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-3-yl)-N-(2-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125257
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-naphtho[3,2-b][1]benzofuran-11-yl-N,9-diphenylcarbazol-3-amine
CID 163743576
N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 170410254

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
The IUPAC name of 2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine (CID 167129379) is 2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine.
What is the SMILES notation for 2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
The canonical SMILES for 2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c4oc(-c5ccccc5)nc4cc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
The InChIKey is ABVJZKGRMRGOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-4-15-32(16-5-1)34-19-14-22-36(29-34)51(37-27-28-43-40(30-37)38-23-10-12-25-42(38)52(43)35-20-8-3-9-21-35)47-46-39-24-11-13-26-44(39)53-45(46)31-41-48(47)54-49(50-41)33-17-6-2-7-18-33/h1-31H.
What are the key properties of 2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine?
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine has a molecular weight of 693.81 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine is sourced from PubChem (CID 167129379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).