N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine

C51H34N2O2 — CID 167123230

IUPACN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine
SMILESC1=Cc2c(ccc3cc(N(c4ccc(-c5ccc6oc7ccc8nc(-c9ccccc9)oc8c7c6c5)cc4)c4ccccc4-c4ccccc4)ccc23)CC1
InChIInChI=1S/C51H34N2O2/c1-3-11-34(12-4-1)43-17-9-10-18-46(43)53(40-26-27-42-38(31-40)20-19-35-13-7-8-16-41(35)42)39-24-21-33(22-25-39)37-23-29-47-44(32-37)49-48(54-47)30-28-45-50(49)55-51(52-45)36-14-5-2-6-15-36/h1-6,8-12,14-32H,7,13H2
InChIKeyJWQFGQRMOQALKW-UHFFFAOYSA-N
MW706.85 g/mol
LogP14.31
Rot. Bonds6

About N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine

N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine (PubChem CID 167123230) has the molecular formula C51H34N2O2 and a molecular weight of 706.85 g/mol. Its IUPAC name is N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine
PubChem CID167123230
Molecular FormulaC51H34N2O2
Molecular Weight706.85 g/mol
Exact Mass706.26
IUPAC NameN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine
SMILESC1=Cc2c(ccc3cc(N(c4ccc(-c5ccc6oc7ccc8nc(-c9ccccc9)oc8c7c6c5)cc4)c4ccccc4-c4ccccc4)ccc23)CC1
InChIInChI=1S/C51H34N2O2/c1-3-11-34(12-4-1)43-17-9-10-18-46(43)53(40-26-27-42-38(31-40)20-19-35-13-7-8-16-41(35)42)39-24-21-33(22-25-39)37-23-29-47-44(32-37)49-48(54-47)30-28-45-50(49)55-51(52-45)36-14-5-2-6-15-36/h1-6,8-12,14-32H,7,13H2
InChIKeyJWQFGQRMOQALKW-UHFFFAOYSA-N
XLogP14.31
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122974
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167124386
N-(4-phenanthren-9-ylphenyl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123135
N-(2-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 174319667
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167123196
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176877752
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
N-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-2-amine
CID 174273303
N-(4-methylphenyl)-N-[2-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-3-amine
CID 176877772
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 177119768

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine?
The IUPAC name of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine (CID 167123230) is N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine.
What is the SMILES notation for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine?
The canonical SMILES for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine is C1=Cc2c(ccc3cc(N(c4ccc(-c5ccc6oc7ccc8nc(-c9ccccc9)oc8c7c6c5)cc4)c4ccccc4-c4ccccc4)ccc23)CC1.
What is the InChIKey of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine?
The InChIKey is JWQFGQRMOQALKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O2/c1-3-11-34(12-4-1)43-17-9-10-18-46(43)53(40-26-27-42-38(31-40)20-19-35-13-7-8-16-41(35)42)39-24-21-33(22-25-39)37-23-29-47-44(32-37)49-48(54-47)30-28-45-50(49)55-51(52-45)36-14-5-2-6-15-36/h1-6,8-12,14-32H,7,13H2.
What are the key properties of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine?
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine has a molecular weight of 706.85 g/mol, XLogP of 14.31, 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[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrophenanthren-2-amine is sourced from PubChem (CID 167123230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).