5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine

C98H63Br2N5O2 — CID 158357134

IUPAC5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine
SMILESBrc1ccc2c3ccc(Br)cc3c3oc(-c4cccc5ccccc45)nc3c2c1.c1ccc(N(c2ccc3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4oc(-c5cccc6ccccc56)nc4c3c2)c2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C57H37N3O.C25H13Br2NO.C16H13N/c1-3-22-41(23-4-1)59(53-30-14-20-39-17-8-11-27-46(39)53)43-32-34-48-49-35-33-44(60(42-24-5-2-6-25-42)54-31-15-21-40-18-9-12-28-47(40)54)37-52(49)56-55(51(48)36-43)58-57(61-56)50-29-13-19-38-16-7-10-26-45(38)50;26-15-8-10-18-19-11-9-16(27)13-22(19)24-23(21(18)12-15)28-25(29-24)20-7-3-5-14-4-1-2-6-17(14)20;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-37H;1-13H;1-12,17H
InChIKeyGTABFHUSONLCKK-UHFFFAOYSA-N
MW1502.42 g/mol
LogP29.26
Rot. Bonds10

About 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine

5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine (PubChem CID 158357134) has the molecular formula C98H63Br2N5O2 and a molecular weight of 1502.42 g/mol. Its IUPAC name is 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine.

Molecular Properties

Compound Name5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine
PubChem CID158357134
Molecular FormulaC98H63Br2N5O2
Molecular Weight1502.42 g/mol
Exact Mass1499.33
IUPAC Name5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine
SMILESBrc1ccc2c3ccc(Br)cc3c3oc(-c4cccc5ccccc45)nc3c2c1.c1ccc(N(c2ccc3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4oc(-c5cccc6ccccc56)nc4c3c2)c2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C57H37N3O.C25H13Br2NO.C16H13N/c1-3-22-41(23-4-1)59(53-30-14-20-39-17-8-11-27-46(39)53)43-32-34-48-49-35-33-44(60(42-24-5-2-6-25-42)54-31-15-21-40-18-9-12-28-47(40)54)37-52(49)56-55(51(48)36-43)58-57(61-56)50-29-13-19-38-16-7-10-26-45(38)50;26-15-8-10-18-19-11-9-16(27)13-22(19)24-23(21(18)12-15)28-25(29-24)20-7-3-5-14-4-1-2-6-17(14)20;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-37H;1-13H;1-12,17H
InChIKeyGTABFHUSONLCKK-UHFFFAOYSA-N
XLogP29.26
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001502.42
LogP ≤ 529.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,11-dibromo-1,2,3,4-tetraphenyltriphenylene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N,9,10,11,12-hexakis-phenyltriphenylene-2,7-diamine;methane;N-phenylnaphthalen-1-amine
CID 159839238
2,7-dibromo-9H-fluorene;2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenyl-9H-fluorene-2,7-diamine;N-phenylnaphthalen-1-amine
CID 159097880
1,3-bis(3-bromophenyl)benzene;N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-phenylnaphthalen-1-amine
CID 159827685
1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350
N,N-diphenyl-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]oxazol-5-amine
CID 171747533
7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine
CID 121328079
N-[4-[2-(4-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327931
1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 59575239
1-N-[3-(N-naphthalen-1-ylanilino)phenyl]-1-N,3-N-diphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417056
N-[4-[12-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]chrysen-6-yl]phenyl]naphthalen-1-amine
CID 59987803
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
CID 170410600
N,N,4-triphenyl-5-oxa-3-azapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2(6),3,7,9,11,14(19),15,17,20-decaen-16-amine
CID 170122328

Frequently Asked Questions

What is the IUPAC name of 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine?
The IUPAC name of 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine (CID 158357134) is 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine.
What is the SMILES notation for 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine?
The canonical SMILES for 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine is Brc1ccc2c3ccc(Br)cc3c3oc(-c4cccc5ccccc45)nc3c2c1.c1ccc(N(c2ccc3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4oc(-c5cccc6ccccc56)nc4c3c2)c2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine?
The InChIKey is GTABFHUSONLCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O.C25H13Br2NO.C16H13N/c1-3-22-41(23-4-1)59(53-30-14-20-39-17-8-11-27-46(39)53)43-32-34-48-49-35-33-44(60(42-24-5-2-6-25-42)54-31-15-21-40-18-9-12-28-47(40)54)37-52(49)56-55(51(48)36-43)58-57(61-56)50-29-13-19-38-16-7-10-26-45(38)50;26-15-8-10-18-19-11-9-16(27)13-22(19)24-23(21(18)12-15)28-25(29-24)20-7-3-5-14-4-1-2-6-17(14)20;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-37H;1-13H;1-12,17H.
What are the key properties of 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine?
5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine has a molecular weight of 1502.42 g/mol, XLogP of 29.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine is sourced from PubChem (CID 158357134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).