5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine

C110H73Br2N7 — CID 157174283

IUPAC5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine
SMILESBrc1ccc2c3ccc(Br)cc3c3c(nc(-c4cccc5ccccc45)n3-c3ccccc3)c2c1.c1ccc(N(c2ccc3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4c(nc(-c5cccc6ccccc56)n4-c4ccccc4)c3c2)c2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C63H42N4.C31H18Br2N2.C16H13N/c1-4-25-46(26-5-1)65(59-35-17-23-44-20-11-14-32-52(44)59)49-37-39-54-55-40-38-50(66(47-27-6-2-7-28-47)60-36-18-24-45-21-12-15-33-53(45)60)42-58(55)62-61(57(54)41-49)64-63(67(62)48-29-8-3-9-30-48)56-34-16-22-43-19-10-13-31-51(43)56;32-20-13-15-24-25-16-14-21(33)18-28(25)30-29(27(24)17-20)34-31(35(30)22-9-2-1-3-10-22)26-12-6-8-19-7-4-5-11-23(19)26;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-42H;1-18H;1-12,17H
InChIKeyANVCFSKKLWCAJX-UHFFFAOYSA-N
MW1652.65 g/mol
LogP31.66
Rot. Bonds12

About 5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine

5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine (PubChem CID 157174283) has the molecular formula C110H73Br2N7 and a molecular weight of 1652.65 g/mol. Its IUPAC name is 5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine.

Molecular Properties

Compound Name5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine
PubChem CID157174283
Molecular FormulaC110H73Br2N7
Molecular Weight1652.65 g/mol
Exact Mass1649.43
IUPAC Name5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine
SMILESBrc1ccc2c3ccc(Br)cc3c3c(nc(-c4cccc5ccccc45)n3-c3ccccc3)c2c1.c1ccc(N(c2ccc3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4c(nc(-c5cccc6ccccc56)n4-c4ccccc4)c3c2)c2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C63H42N4.C31H18Br2N2.C16H13N/c1-4-25-46(26-5-1)65(59-35-17-23-44-20-11-14-32-52(44)59)49-37-39-54-55-40-38-50(66(47-27-6-2-7-28-47)60-36-18-24-45-21-12-15-33-53(45)60)42-58(55)62-61(57(54)41-49)64-63(67(62)48-29-8-3-9-30-48)56-34-16-22-43-19-10-13-31-51(43)56;32-20-13-15-24-25-16-14-21(33)18-28(25)30-29(27(24)17-20)34-31(35(30)22-9-2-1-3-10-22)26-12-6-8-19-7-4-5-11-23(19)26;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-42H;1-18H;1-12,17H
InChIKeyANVCFSKKLWCAJX-UHFFFAOYSA-N
XLogP31.66
TPSA54.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001652.65
LogP ≤ 531.66
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-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine?
The IUPAC name of 5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine (CID 157174283) is 5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine.
What is the SMILES notation for 5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine?
The canonical SMILES for 5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine is Brc1ccc2c3ccc(Br)cc3c3c(nc(-c4cccc5ccccc45)n3-c3ccccc3)c2c1.c1ccc(N(c2ccc3c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c4c(nc(-c5cccc6ccccc56)n4-c4ccccc4)c3c2)c2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of 5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine?
The InChIKey is ANVCFSKKLWCAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4.C31H18Br2N2.C16H13N/c1-4-25-46(26-5-1)65(59-35-17-23-44-20-11-14-32-52(44)59)49-37-39-54-55-40-38-50(66(47-27-6-2-7-28-47)60-36-18-24-45-21-12-15-33-53(45)60)42-58(55)62-61(57(54)41-49)64-63(67(62)48-29-8-3-9-30-48)56-34-16-22-43-19-10-13-31-51(43)56;32-20-13-15-24-25-16-14-21(33)18-28(25)30-29(27(24)17-20)34-31(35(30)22-9-2-1-3-10-22)26-12-6-8-19-7-4-5-11-23(19)26;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-42H;1-18H;1-12,17H.
What are the key properties of 5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine?
5,10-dibromo-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine has a molecular weight of 1652.65 g/mol, XLogP of 31.66, 12 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-yl-3-phenylphenanthro[9,10-d]imidazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N,3-triphenylphenanthro[9,10-d]imidazole-5,10-diamine is sourced from PubChem (CID 157174283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).