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

C41H26N2O2 — CID 171754352

IUPAC3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4cc4c3oc3cc(-c5nc6ccccc6o5)ccc34)cc2)cc1
InChIInChI=1S/C41H26N2O2/c1-3-11-27(12-4-1)28-19-22-32(23-20-28)43(31-14-5-2-6-15-31)39-33-16-8-7-13-29(33)25-35-34-24-21-30(26-38(34)44-40(35)39)41-42-36-17-9-10-18-37(36)45-41/h1-26H
InChIKeyIDWRUGCXFWGHAN-UHFFFAOYSA-N
MW578.67 g/mol
LogP11.68
Rot. Bonds5

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

3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine (PubChem CID 171754352) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
PubChem CID171754352
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4cc4c3oc3cc(-c5nc6ccccc6o5)ccc34)cc2)cc1
InChIInChI=1S/C41H26N2O2/c1-3-11-27(12-4-1)28-19-22-32(23-20-28)43(31-14-5-2-6-15-31)39-33-16-8-7-13-29(33)25-35-34-24-21-30(26-38(34)44-40(35)39)41-42-36-17-9-10-18-37(36)45-41/h1-26H
InChIKeyIDWRUGCXFWGHAN-UHFFFAOYSA-N
XLogP11.68
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 171754798
N-[4-[5-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 171754887
1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754408
2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine
CID 171754383
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
N,4-diphenyl-N-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]aniline
CID 171754733
2-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 175613378
N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine
CID 171755457
2-phenyl-N,N-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-10-amine
CID 167128770
6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 171754709

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine (CID 171754352) is 3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine is c1ccc(-c2ccc(N(c3ccccc3)c3c4ccccc4cc4c3oc3cc(-c5nc6ccccc6o5)ccc34)cc2)cc1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
The InChIKey is IDWRUGCXFWGHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c1-3-11-27(12-4-1)28-19-22-32(23-20-28)43(31-14-5-2-6-15-31)39-33-16-8-7-13-29(33)25-35-34-24-21-30(26-38(34)44-40(35)39)41-42-36-17-9-10-18-37(36)45-41/h1-26H.
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine?
3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine has a molecular weight of 578.67 g/mol, XLogP of 11.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine is sourced from PubChem (CID 171754352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).