N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine

C41H26N2O2 — CID 167128692

IUPACN-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4oc5cc6nc(-c7ccccc7)oc6cc5c4c3)c2)cc1
InChIInChI=1S/C41H26N2O2/c1-3-10-27(11-4-1)31-16-9-17-32(22-31)43(33-19-18-28-12-7-8-15-30(28)23-33)34-20-21-38-35(24-34)36-25-40-37(26-39(36)44-38)42-41(45-40)29-13-5-2-6-14-29/h1-26H
InChIKeyNOCCBVREUMNPLJ-UHFFFAOYSA-N
MW578.67 g/mol
LogP11.68
Rot. Bonds5

About N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine

N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine (PubChem CID 167128692) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
PubChem CID167128692
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC NameN-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
SMILESc1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4oc5cc6nc(-c7ccccc7)oc6cc5c4c3)c2)cc1
InChIInChI=1S/C41H26N2O2/c1-3-10-27(11-4-1)31-16-9-17-32(22-31)43(33-19-18-28-12-7-8-15-30(28)23-33)34-20-21-38-35(24-34)36-25-40-37(26-39(36)44-38)42-41(45-40)29-13-5-2-6-14-29/h1-26H
InChIKeyNOCCBVREUMNPLJ-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

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Related Compounds

N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128562
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167127103
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167130080
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128243
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127159
N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167128103
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128694
N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129536
N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128802
N-naphthalen-2-yl-N-[3-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]naphthalen-2-amine
CID 130208137

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
The IUPAC name of N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine (CID 167128692) is N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine.
What is the SMILES notation for N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
The canonical SMILES for N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine is c1ccc(-c2cccc(N(c3ccc4ccccc4c3)c3ccc4oc5cc6nc(-c7ccccc7)oc6cc5c4c3)c2)cc1.
What is the InChIKey of N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
The InChIKey is NOCCBVREUMNPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c1-3-10-27(11-4-1)31-16-9-17-32(22-31)43(33-19-18-28-12-7-8-15-30(28)23-33)34-20-21-38-35(24-34)36-25-40-37(26-39(36)44-38)42-41(45-40)29-13-5-2-6-14-29/h1-26H.
What are the key properties of N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine?
N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-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 N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine is sourced from PubChem (CID 167128692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).