N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine

C110H82BrN5 — CID 159074754

IUPACN,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)c(C)cn4)c3)c3cccc4ccccc34)c2)cc1-c1ccc(-c2ccccc2)cc1.Cc1cnc(-c2cc(Br)cc(-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1.Nc1cccc2ccccc12
InChIInChI=1S/C70H51N3.C30H22BrN.C10H9N/c1-48-46-71-68(44-66(48)57-34-30-54(31-35-57)50-18-7-3-8-19-50)61-38-59(52-22-11-5-12-23-52)40-63(42-61)73(70-29-17-27-56-26-15-16-28-65(56)70)64-41-60(53-24-13-6-14-25-53)39-62(43-64)69-45-67(49(2)47-72-69)58-36-32-55(33-37-58)51-20-9-4-10-21-51;1-21-20-32-30(27-16-26(17-28(31)18-27)23-10-6-3-7-11-23)19-29(21)25-14-12-24(13-15-25)22-8-4-2-5-9-22;11-10-7-3-5-8-4-1-2-6-9(8)10/h3-47H,1-2H3;2-20H,1H3;1-7H,11H2
InChIKeyKACKXMOCSVTHBE-UHFFFAOYSA-N
MW1553.80 g/mol
LogP30.29
Rot. Bonds15

About N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine

N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine (PubChem CID 159074754) has the molecular formula C110H82BrN5 and a molecular weight of 1553.80 g/mol. Its IUPAC name is N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine
PubChem CID159074754
Molecular FormulaC110H82BrN5
Molecular Weight1553.80 g/mol
Exact Mass1551.58
IUPAC NameN,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)c(C)cn4)c3)c3cccc4ccccc34)c2)cc1-c1ccc(-c2ccccc2)cc1.Cc1cnc(-c2cc(Br)cc(-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1.Nc1cccc2ccccc12
InChIInChI=1S/C70H51N3.C30H22BrN.C10H9N/c1-48-46-71-68(44-66(48)57-34-30-54(31-35-57)50-18-7-3-8-19-50)61-38-59(52-22-11-5-12-23-52)40-63(42-61)73(70-29-17-27-56-26-15-16-28-65(56)70)64-41-60(53-24-13-6-14-25-53)39-62(43-64)69-45-67(49(2)47-72-69)58-36-32-55(33-37-58)51-20-9-4-10-21-51;1-21-20-32-30(27-16-26(17-28(31)18-27)23-10-6-3-7-11-23)19-29(21)25-14-12-24(13-15-25)22-8-4-2-5-9-22;11-10-7-3-5-8-4-1-2-6-9(8)10/h3-47H,1-2H3;2-20H,1H3;1-7H,11H2
InChIKeyKACKXMOCSVTHBE-UHFFFAOYSA-N
XLogP30.29
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001553.80
LogP ≤ 530.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine with MolForge

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Related Compounds

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CID 118718011
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2-(5-bromo-2-methylphenyl)-N-[[3-fluoro-4-[(Z)-2-[6-methyl-7-(2-piperidin-4-ylethyl)quinolin-4-yl]ethenyl]phenyl]methyl]ethanamine
CID 130443794
7-(3,5-Dipyridin-3-ylphenyl)-11,23-bis(4-fluorophenyl)-2,13-dimethyl-10-azapentacyclo[12.9.0.03,12.04,9.015,20]tricosa-1(14),2,4(9),5,7,10,12,15,17,19,21,22-dodecaene
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Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine?
The IUPAC name of N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine (CID 159074754) is N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine.
What is the SMILES notation for N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine?
The canonical SMILES for N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine is Cc1cnc(-c2cc(-c3ccccc3)cc(N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)c(C)cn4)c3)c3cccc4ccccc34)c2)cc1-c1ccc(-c2ccccc2)cc1.Cc1cnc(-c2cc(Br)cc(-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1.Nc1cccc2ccccc12.
What is the InChIKey of N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine?
The InChIKey is KACKXMOCSVTHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H51N3.C30H22BrN.C10H9N/c1-48-46-71-68(44-66(48)57-34-30-54(31-35-57)50-18-7-3-8-19-50)61-38-59(52-22-11-5-12-23-52)40-63(42-61)73(70-29-17-27-56-26-15-16-28-65(56)70)64-41-60(53-24-13-6-14-25-53)39-62(43-64)69-45-67(49(2)47-72-69)58-36-32-55(33-37-58)51-20-9-4-10-21-51;1-21-20-32-30(27-16-26(17-28(31)18-27)23-10-6-3-7-11-23)19-29(21)25-14-12-24(13-15-25)22-8-4-2-5-9-22;11-10-7-3-5-8-4-1-2-6-9(8)10/h3-47H,1-2H3;2-20H,1H3;1-7H,11H2.
What are the key properties of N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine?
N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine has a molecular weight of 1553.80 g/mol, XLogP of 30.29, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]naphthalen-1-amine;2-(3-bromo-5-phenylphenyl)-5-methyl-4-(4-phenylphenyl)pyridine;naphthalen-1-amine is sourced from PubChem (CID 159074754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).