N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine

C47H30N2O2 — CID 167127103

IUPACN-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6cc7oc(-c8ccccc8)nc7cc6c5c4)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-10-31(11-4-1)36-16-9-17-39(26-36)49(40-24-20-32-12-7-8-15-35(32)27-40)38-22-18-33(19-23-38)37-21-25-44-41(28-37)42-29-43-46(30-45(42)50-44)51-47(48-43)34-13-5-2-6-14-34/h1-30H
InChIKeyXIJGNMOAMVBWGT-UHFFFAOYSA-N
MW654.77 g/mol
LogP13.35
Rot. Bonds6

About N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine

N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine (PubChem CID 167127103) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
PubChem CID167127103
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC NameN-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6cc7oc(-c8ccccc8)nc7cc6c5c4)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-10-31(11-4-1)36-16-9-17-39(26-36)49(40-24-20-32-12-7-8-15-35(32)27-40)38-22-18-33(19-23-38)37-21-25-44-41(28-37)42-29-43-46(30-45(42)50-44)51-47(48-43)34-13-5-2-6-14-34/h1-30H
InChIKeyXIJGNMOAMVBWGT-UHFFFAOYSA-N
XLogP13.35
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128243
N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128692
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline
CID 170776795
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
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-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline
CID 167129713
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128562
N-naphthalen-2-yl-N-[3-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]naphthalen-2-amine
CID 130208137
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170776807

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine (CID 167127103) is N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6cc7oc(-c8ccccc8)nc7cc6c5c4)cc3)c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?
The InChIKey is XIJGNMOAMVBWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-3-10-31(11-4-1)36-16-9-17-39(26-36)49(40-24-20-32-12-7-8-15-35(32)27-40)38-22-18-33(19-23-38)37-21-25-44-41(28-37)42-29-43-46(30-45(42)50-44)51-47(48-43)34-13-5-2-6-14-34/h1-30H.
What are the key properties of N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine has a molecular weight of 654.77 g/mol, XLogP of 13.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 167127103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).