9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine

C53H32N2O2 — CID 175615107

IUPAC9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4oc5cc(-c6nc7ccccc7o6)ccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C53H32N2O2/c1-2-12-33(13-3-1)34-22-25-36(26-23-34)55(37-27-29-42-40-16-5-4-14-38(40)39-15-6-7-17-41(39)46(42)31-37)48-32-51-52(44-19-9-8-18-43(44)48)45-28-24-35(30-50(45)56-51)53-54-47-20-10-11-21-49(47)57-53/h1-32H
InChIKeyBUZPPQRCZMVMAF-UHFFFAOYSA-N
MW728.85 g/mol
LogP15.14
Rot. Bonds5

About 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine

9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 175615107) has the molecular formula C53H32N2O2 and a molecular weight of 728.85 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine
PubChem CID175615107
Molecular FormulaC53H32N2O2
Molecular Weight728.85 g/mol
Exact Mass728.25
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4oc5cc(-c6nc7ccccc7o6)ccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C53H32N2O2/c1-2-12-33(13-3-1)34-22-25-36(26-23-34)55(37-27-29-42-40-16-5-4-14-38(40)39-15-6-7-17-41(39)46(42)31-37)48-32-51-52(44-19-9-8-18-43(44)48)45-28-24-35(30-50(45)56-51)53-54-47-20-10-11-21-49(47)57-53/h1-32H
InChIKeyBUZPPQRCZMVMAF-UHFFFAOYSA-N
XLogP15.14
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.85
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 164707795
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 171754421
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195
11-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 177081876
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 171736391
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177081856
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-di(triphenylen-2-yl)fluorene-2,7-diamine
CID 155473682
9-(3H-indol-2-yl)-N-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 171754416
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine (CID 175615107) is 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine is c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4oc5cc(-c6nc7ccccc7o6)ccc5c4c4ccccc34)cc2)cc1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is BUZPPQRCZMVMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2/c1-2-12-33(13-3-1)34-22-25-36(26-23-34)55(37-27-29-42-40-16-5-4-14-38(40)39-15-6-7-17-41(39)46(42)31-37)48-32-51-52(44-19-9-8-18-43(44)48)45-28-24-35(30-50(45)56-51)53-54-47-20-10-11-21-49(47)57-53/h1-32H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine?
9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 728.85 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 175615107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).