1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine

C53H34N2O2 — CID 171754408

IUPAC1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4cc4c3oc3cccc(-c5cccc6nc(-c7ccccc7)oc56)c34)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-14-35(15-5-1)37-26-30-41(31-27-37)55(42-32-28-38(29-33-42)36-16-6-2-7-17-36)50-43-21-11-10-20-40(43)34-46-49-44(22-13-25-48(49)56-52(46)50)45-23-12-24-47-51(45)57-53(54-47)39-18-8-3-9-19-39/h1-34H
InChIKeyDCBMVMKGZFAKNX-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

About 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine

1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine (PubChem CID 171754408) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine.

Molecular Properties

Compound Name1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
PubChem CID171754408
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC Name1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4cc4c3oc3cccc(-c5cccc6nc(-c7ccccc7)oc56)c34)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-14-35(15-5-1)37-26-30-41(31-27-37)55(42-32-28-38(29-33-42)36-16-6-2-7-17-36)50-43-21-11-10-20-40(43)34-46-49-44(22-13-25-48(49)56-52(46)50)45-23-12-24-47-51(45)57-53(54-47)39-18-8-3-9-19-39/h1-34H
InChIKeyDCBMVMKGZFAKNX-UHFFFAOYSA-N
XLogP15.02
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline
CID 171755293
3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754352
N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine
CID 171754479
1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,3-b][1]benzofuran-6-amine
CID 170212928
6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 171754709
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 176755159
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
CID 176785756
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167122967
1-(1-benzofuran-2-yl)-N-dibenzofuran-1-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754371
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
CID 169296331
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
CID 169295391

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The IUPAC name of 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine (CID 171754408) is 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine.
What is the SMILES notation for 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The canonical SMILES for 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4ccccc4cc4c3oc3cccc(-c5cccc6nc(-c7ccccc7)oc56)c34)cc2)cc1.
What is the InChIKey of 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The InChIKey is DCBMVMKGZFAKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-4-14-35(15-5-1)37-26-30-41(31-27-37)55(42-32-28-38(29-33-42)36-16-6-2-7-17-36)50-43-21-11-10-20-40(43)34-46-49-44(22-13-25-48(49)56-52(46)50)45-23-12-24-47-51(45)57-53(54-47)39-18-8-3-9-19-39/h1-34H.
What are the key properties of 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine has a molecular weight of 730.87 g/mol, XLogP of 15.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine is sourced from PubChem (CID 171754408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).