N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C106H78BBrN6O2 — CID 158849912

IUPACN-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESBrc1ccc(N(c2ccccn2)c2ccccn2)cc1.CC1(C)OB(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)OC1(C)C.c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)nc1
InChIInChI=1S/C50H33N3.C40H33BO2.C16H12BrN3/c1-3-13-37-31-40(21-19-34(37)11-1)49-43-15-5-6-16-44(43)50(41-22-20-35-12-2-4-14-38(35)32-41)46-33-39(25-28-45(46)49)36-23-26-42(27-24-36)53(47-17-7-9-29-51-47)48-18-8-10-30-52-48;1-39(2)40(3,4)43-41(42-39)32-21-22-35-36(25-32)38(31-20-18-27-12-6-8-14-29(27)24-31)34-16-10-9-15-33(34)37(35)30-19-17-26-11-5-7-13-28(26)23-30;17-13-7-9-14(10-8-13)20(15-5-1-3-11-18-15)16-6-2-4-12-19-16/h1-33H;5-25H,1-4H3;1-12H
InChIKeyIZHVXZFPAYWEEL-UHFFFAOYSA-N
MW1558.55 g/mol
LogP28.20
Rot. Bonds12

About N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158849912) has the molecular formula C106H78BBrN6O2 and a molecular weight of 1558.55 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID158849912
Molecular FormulaC106H78BBrN6O2
Molecular Weight1558.55 g/mol
Exact Mass1556.55
IUPAC NameN-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESBrc1ccc(N(c2ccccn2)c2ccccn2)cc1.CC1(C)OB(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)OC1(C)C.c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)nc1
InChIInChI=1S/C50H33N3.C40H33BO2.C16H12BrN3/c1-3-13-37-31-40(21-19-34(37)11-1)49-43-15-5-6-16-44(43)50(41-22-20-35-12-2-4-14-38(35)32-41)46-33-39(25-28-45(46)49)36-23-26-42(27-24-36)53(47-17-7-9-29-51-47)48-18-8-10-30-52-48;1-39(2)40(3,4)43-41(42-39)32-21-22-35-36(25-32)38(31-20-18-27-12-6-8-14-29(27)24-31)34-16-10-9-15-33(34)37(35)30-19-17-26-11-5-7-13-28(26)23-30;17-13-7-9-14(10-8-13)20(15-5-1-3-11-18-15)16-6-2-4-12-19-16/h1-33H;5-25H,1-4H3;1-12H
InChIKeyIZHVXZFPAYWEEL-UHFFFAOYSA-N
XLogP28.20
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001558.55
LogP ≤ 528.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158849912) is N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Brc1ccc(N(c2ccccn2)c2ccccn2)cc1.CC1(C)OB(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)OC1(C)C.c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)nc1.
What is the InChIKey of N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IZHVXZFPAYWEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3.C40H33BO2.C16H12BrN3/c1-3-13-37-31-40(21-19-34(37)11-1)49-43-15-5-6-16-44(43)50(41-22-20-35-12-2-4-14-38(35)32-41)46-33-39(25-28-45(46)49)36-23-26-42(27-24-36)53(47-17-7-9-29-51-47)48-18-8-10-30-52-48;1-39(2)40(3,4)43-41(42-39)32-21-22-35-36(25-32)38(31-20-18-27-12-6-8-14-29(27)24-31)34-16-10-9-15-33(34)37(35)30-19-17-26-11-5-7-13-28(26)23-30;17-13-7-9-14(10-8-13)20(15-5-1-3-11-18-15)16-6-2-4-12-19-16/h1-33H;5-25H,1-4H3;1-12H.
What are the key properties of N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1558.55 g/mol, XLogP of 28.20, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-pyridin-2-ylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158849912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).