N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine

C43H30N2O — CID 166889312

IUPACN-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(C2Nc3c(c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4c4ccccc34)O2)cc1
InChIInChI=1S/C43H30N2O/c1-3-12-31(13-4-1)43-44-41-38-18-10-9-17-37(38)40-28-33(22-26-39(40)42(41)46-43)30-19-23-35(24-20-30)45(34-15-5-2-6-16-34)36-25-21-29-11-7-8-14-32(29)27-36/h1-28,43-44H
InChIKeyMMFAKMPLLHHZHD-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.79
Rot. Bonds5

About N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine

N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine (PubChem CID 166889312) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine
PubChem CID166889312
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC NameN-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(C2Nc3c(c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4c4ccccc34)O2)cc1
InChIInChI=1S/C43H30N2O/c1-3-12-31(13-4-1)43-44-41-38-18-10-9-17-37(38)40-28-33(22-26-39(40)42(41)46-43)30-19-23-35(24-20-30)45(34-15-5-2-6-16-34)36-25-21-29-11-7-8-14-32(29)27-36/h1-28,43-44H
InChIKeyMMFAKMPLLHHZHD-UHFFFAOYSA-N
XLogP11.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]naphthalen-2-amine
CID 166889557
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-amine
CID 166889500
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline
CID 166889186
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-amine
CID 166889328
N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine
CID 166889205
N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]naphthalen-1-amine
CID 166889558
N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166889560
N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 166889542
2-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-amine
CID 166889691
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 167183726
N-[4-(2-phenyl-1,2-dihydrobenzo[e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 170424579
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenyl-1,2-dihydronaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 174319615

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine (CID 166889312) is N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine is c1ccc(C2Nc3c(c4ccc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4c4ccccc34)O2)cc1.
What is the InChIKey of N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine?
The InChIKey is MMFAKMPLLHHZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-3-12-31(13-4-1)43-44-41-38-18-10-9-17-37(38)40-28-33(22-26-39(40)42(41)46-43)30-19-23-35(24-20-30)45(34-15-5-2-6-16-34)36-25-21-29-11-7-8-14-32(29)27-36/h1-28,43-44H.
What are the key properties of N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine?
N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine has a molecular weight of 590.73 g/mol, XLogP of 11.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 166889312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).