acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol

C94H75Br2N7O6 — CID 158370719

IUPACacetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol
SMILESBrc1ccc(-c2nc3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc4c3[nH]2)cc1.CC(=O)O.CCO.N.O=C1C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cc(N(c3ccccc3)c3ccccc3)ccc21.O=Cc1ccc(Br)cc1
InChIInChI=1S/C45H31BrN4.C38H26N2O2.C7H5BrO.C2H4O2.C2H6O.H3N/c46-32-23-21-31(22-24-32)45-47-43-39-27-25-37(49(33-13-5-1-6-14-33)34-15-7-2-8-16-34)29-41(39)42-30-38(26-28-40(42)44(43)48-45)50(35-17-9-3-10-18-35)36-19-11-4-12-20-36;41-37-33-23-21-31(39(27-13-5-1-6-14-27)28-15-7-2-8-16-28)25-35(33)36-26-32(22-24-34(36)38(37)42)40(29-17-9-3-10-18-29)30-19-11-4-12-20-30;8-7-3-1-6(5-9)2-4-7;1-2(3)4;1-2-3;/h1-30H,(H,47,48);1-26H;1-5H;1H3,(H,3,4);3H,2H2,1H3;1H3
InChIKeyDUPJTYRACOYKJJ-UHFFFAOYSA-N
MW1558.48 g/mol
LogP25.42
Rot. Bonds14

About acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol

acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol (PubChem CID 158370719) has the molecular formula C94H75Br2N7O6 and a molecular weight of 1558.48 g/mol. Its IUPAC name is acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol.

Molecular Properties

Compound Nameacetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol
PubChem CID158370719
Molecular FormulaC94H75Br2N7O6
Molecular Weight1558.48 g/mol
Exact Mass1555.41
IUPAC Nameacetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol
SMILESBrc1ccc(-c2nc3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc4c3[nH]2)cc1.CC(=O)O.CCO.N.O=C1C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cc(N(c3ccccc3)c3ccccc3)ccc21.O=Cc1ccc(Br)cc1
InChIInChI=1S/C45H31BrN4.C38H26N2O2.C7H5BrO.C2H4O2.C2H6O.H3N/c46-32-23-21-31(22-24-32)45-47-43-39-27-25-37(49(33-13-5-1-6-14-33)34-15-7-2-8-16-34)29-41(39)42-30-38(26-28-40(42)44(43)48-45)50(35-17-9-3-10-18-35)36-19-11-4-12-20-36;41-37-33-23-21-31(39(27-13-5-1-6-14-27)28-15-7-2-8-16-28)25-35(33)36-26-32(22-24-34(36)38(37)42)40(29-17-9-3-10-18-29)30-19-11-4-12-20-30;8-7-3-1-6(5-9)2-4-7;1-2(3)4;1-2-3;/h1-30H,(H,47,48);1-26H;1-5H;1H3,(H,3,4);3H,2H2,1H3;1H3
InChIKeyDUPJTYRACOYKJJ-UHFFFAOYSA-N
XLogP25.42
TPSA185.38 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001558.48
LogP ≤ 525.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol with MolForge

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Related Compounds

N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde
CID 20580224
acetic acid;aniline;azane;benzaldehyde;5,10-dibromo-2,3-diphenylphenanthro[9,10-d]imidazole;2,7-dibromophenanthrene-9,10-dione
CID 159393973
4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzaldehyde
CID 88936934
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
4-[4-[6-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]-9-oxofluoren-3-yl]-5-phenyl-1H-imidazol-2-yl]benzaldehyde
CID 136507140
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
17-phenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033349
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950
4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 11235423
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol?
The IUPAC name of acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol (CID 158370719) is acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol.
What is the SMILES notation for acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol?
The canonical SMILES for acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol is Brc1ccc(-c2nc3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc4c3[nH]2)cc1.CC(=O)O.CCO.N.O=C1C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cc(N(c3ccccc3)c3ccccc3)ccc21.O=Cc1ccc(Br)cc1.
What is the InChIKey of acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol?
The InChIKey is DUPJTYRACOYKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31BrN4.C38H26N2O2.C7H5BrO.C2H4O2.C2H6O.H3N/c46-32-23-21-31(22-24-32)45-47-43-39-27-25-37(49(33-13-5-1-6-14-33)34-15-7-2-8-16-34)29-41(39)42-30-38(26-28-40(42)44(43)48-45)50(35-17-9-3-10-18-35)36-19-11-4-12-20-36;41-37-33-23-21-31(39(27-13-5-1-6-14-27)28-15-7-2-8-16-28)25-35(33)36-26-32(22-24-34(36)38(37)42)40(29-17-9-3-10-18-29)30-19-11-4-12-20-30;8-7-3-1-6(5-9)2-4-7;1-2(3)4;1-2-3;/h1-30H,(H,47,48);1-26H;1-5H;1H3,(H,3,4);3H,2H2,1H3;1H3.
What are the key properties of acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol?
acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol has a molecular weight of 1558.48 g/mol, XLogP of 25.42, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;3,6-bis(N-phenylanilino)phenanthrene-9,10-dione;4-bromobenzaldehyde;2-(4-bromophenyl)-6-N,6-N,9-N,9-N-tetraphenyl-1H-phenanthro[9,10-d]imidazole-6,9-diamine;ethanol is sourced from PubChem (CID 158370719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).