9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine

C55H35N3O2 — CID 167128927

IUPAC9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c5oc(-c6ccccc6)nc5cc5c4oc4ccccc45)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-15-36(16-5-1)37-27-31-41(32-28-37)57(49-25-14-23-45-43-21-10-12-24-48(43)58(52(45)49)40-19-8-3-9-20-40)42-33-29-38(30-34-42)51-53-46(44-22-11-13-26-50(44)59-53)35-47-54(51)60-55(56-47)39-17-6-2-7-18-39/h1-35H
InChIKeyKNELKLJHAAASRB-UHFFFAOYSA-N
MW769.90 g/mol
LogP15.30
Rot. Bonds7

About 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine (PubChem CID 167128927) 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-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine
PubChem CID167128927
Molecular FormulaC55H35N3O2
Molecular Weight769.90 g/mol
Exact Mass769.27
IUPAC Name9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c5oc(-c6ccccc6)nc5cc5c4oc4ccccc45)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-15-36(16-5-1)37-27-31-41(32-28-37)57(49-25-14-23-45-43-21-10-12-24-48(43)58(52(45)49)40-19-8-3-9-20-40)42-33-29-38(30-34-42)51-53-46(44-22-11-13-26-50(44)59-53)35-47-54(51)60-55(56-47)39-17-6-2-7-18-39/h1-35H
InChIKeyKNELKLJHAAASRB-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

4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167129252
2-phenyl-N-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
CID 167123589
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-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N-dibenzofuran-1-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125219
N,2,4-triphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]aniline
CID 167128468
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128971
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
N,2,7-triphenyl-N-[9-(4-phenylphenyl)carbazol-1-yl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112575
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167128306
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-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine?
The IUPAC name of 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) is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine?
The canonical SMILES for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4c5oc(-c6ccccc6)nc5cc5c4oc4ccccc45)cc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine?
The InChIKey is KNELKLJHAAASRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-4-15-36(16-5-1)37-27-31-41(32-28-37)57(49-25-14-23-45-43-21-10-12-24-48(43)58(52(45)49)40-19-8-3-9-20-40)42-33-29-38(30-34-42)51-53-46(44-22-11-13-26-50(44)59-53)35-47-54(51)60-55(56-47)39-17-6-2-7-18-39/h1-35H.
What are the key properties of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine?
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-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-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 167128927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).