9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

C55H35N3O2 — CID 167123619

IUPAC9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccc6oc(-c7ccccc7)nc6c45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-13-36(14-5-1)37-23-27-41(28-24-37)57(43-31-32-49-47(35-43)45-19-10-11-22-48(45)58(49)40-17-8-3-9-18-40)42-29-25-38(26-30-42)44-20-12-21-46-52-50(59-54(44)46)33-34-51-53(52)56-55(60-51)39-15-6-2-7-16-39/h1-35H
InChIKeyPPDWPAGCSNNMRY-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-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 167123619) 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-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID167123619
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-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccc6oc(-c7ccccc7)nc6c45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-4-13-36(14-5-1)37-23-27-41(28-24-37)57(43-31-32-49-47(35-43)45-19-10-11-22-48(45)58(49)40-17-8-3-9-18-40)42-29-25-38(26-30-42)44-20-12-21-46-52-50(59-54(44)46)33-34-51-53(52)56-55(60-51)39-15-6-2-7-16-39/h1-35H
InChIKeyPPDWPAGCSNNMRY-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-7-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 167124892
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040
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
N-dibenzofuran-3-yl-9-phenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
CID 170424843
N,9-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]carbazol-2-amine
CID 170395939
N-phenanthren-3-yl-N-phenyl-8-(9-phenylcarbazol-3-yl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176795783
4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
CID 167125084
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167125034

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (CID 167123619) is 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccc6oc(-c7ccccc7)nc6c45)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is PPDWPAGCSNNMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-4-13-36(14-5-1)37-23-27-41(28-24-37)57(43-31-32-49-47(35-43)45-19-10-11-22-48(45)58(49)40-17-8-3-9-18-40)42-29-25-38(26-30-42)44-20-12-21-46-52-50(59-54(44)46)33-34-51-53(52)56-55(60-51)39-15-6-2-7-16-39/h1-35H.
What are the key properties of 9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-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-7-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 167123619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).