N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine

C45H32N2O2 — CID 177293583

IUPACN-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESNc1ccc2ccc3ccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)cc3c2c1OCc1ccccc1
InChIInChI=1S/C45H32N2O2/c46-41-25-21-33-17-15-32-16-18-34(27-39(32)44(33)45(41)48-29-30-9-3-1-4-10-30)31-19-22-36(23-20-31)47(35-11-5-2-6-12-35)37-24-26-43-40(28-37)38-13-7-8-14-42(38)49-43/h1-28H,29,46H2
InChIKeyGQCOILIWNWOMPD-UHFFFAOYSA-N
MW632.76 g/mol
LogP12.19
Rot. Bonds7

About N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine

N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 177293583) has the molecular formula C45H32N2O2 and a molecular weight of 632.76 g/mol. Its IUPAC name is N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID177293583
Molecular FormulaC45H32N2O2
Molecular Weight632.76 g/mol
Exact Mass632.25
IUPAC NameN-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESNc1ccc2ccc3ccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)cc3c2c1OCc1ccccc1
InChIInChI=1S/C45H32N2O2/c46-41-25-21-33-17-15-32-16-18-34(27-39(32)44(33)45(41)48-29-30-9-3-1-4-10-30)31-19-22-36(23-20-31)47(35-11-5-2-6-12-35)37-24-26-43-40(28-37)38-13-7-8-14-42(38)49-43/h1-28H,29,46H2
InChIKeyGQCOILIWNWOMPD-UHFFFAOYSA-N
XLogP12.19
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.76
LogP ≤ 512.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168810112
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119498
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163531412
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine (CID 177293583) is N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine is Nc1ccc2ccc3ccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)cc3c2c1OCc1ccccc1.
What is the InChIKey of N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is GQCOILIWNWOMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2O2/c46-41-25-21-33-17-15-32-16-18-34(27-39(32)44(33)45(41)48-29-30-9-3-1-4-10-30)31-19-22-36(23-20-31)47(35-11-5-2-6-12-35)37-24-26-43-40(28-37)38-13-7-8-14-42(38)49-43/h1-28H,29,46H2.
What are the key properties of N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine?
N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 632.76 g/mol, XLogP of 12.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-5-phenylmethoxyphenanthren-3-yl)phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 177293583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).