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

C55H35N3O2 — CID 167124903

IUPAC9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6ccc7oc(-c8ccccc8)nc7c6c5c4)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-14-36(15-5-1)39-18-12-21-43(34-39)57(48-25-13-23-45-44-22-10-11-24-47(44)58(54(45)48)41-19-8-3-9-20-41)42-29-26-37(27-30-42)40-28-31-49-46(35-40)52-50(59-49)32-33-51-53(52)56-55(60-51)38-16-6-2-7-17-38/h1-35H
InChIKeyRUBJURVVSAPIHD-UHFFFAOYSA-N
MW769.90 g/mol
LogP15.30
Rot. Bonds7

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

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine (PubChem CID 167124903) has the molecular formula C55H35N3O2 and a molecular weight of 769.90 g/mol. Its IUPAC name is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
PubChem CID167124903
Molecular FormulaC55H35N3O2
Molecular Weight769.90 g/mol
Exact Mass769.27
IUPAC Name9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6ccc7oc(-c8ccccc8)nc7c6c5c4)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-14-36(15-5-1)39-18-12-21-43(34-39)57(48-25-13-23-45-44-22-10-11-24-47(44)58(54(45)48)41-19-8-3-9-20-41)42-29-26-37(27-30-42)40-28-31-49-46(35-40)52-50(59-49)32-33-51-53(52)56-55(60-51)38-16-6-2-7-17-38/h1-35H
InChIKeyRUBJURVVSAPIHD-UHFFFAOYSA-N
XLogP15.30
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124929
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,9-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
CID 170395939
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018
N,2-diphenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167123592
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123209
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-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124892
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine?
The IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine (CID 167124903) is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine?
The canonical SMILES for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6ccc7oc(-c8ccccc8)nc7c6c5c4)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine?
The InChIKey is RUBJURVVSAPIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-4-14-36(15-5-1)39-18-12-21-43(34-39)57(48-25-13-23-45-44-22-10-11-24-47(44)58(54(45)48)41-19-8-3-9-20-41)42-29-26-37(27-30-42)40-28-31-49-46(35-40)52-50(59-49)32-33-51-53(52)56-55(60-51)38-16-6-2-7-17-38/h1-35H.
What are the key properties of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine?
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine has a molecular weight of 769.90 g/mol, XLogP of 15.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 167124903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).