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

C108H80BBrN4O2 — CID 160816393

IUPACN-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESBrc1ccc(N(c2ccccc2)c2ccccn2)cc1.CC1(C)OB(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)OC1(C)C.c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)cc1
InChIInChI=1S/C51H34N2.C40H33BO2.C17H13BrN2/c1-2-16-43(17-3-1)53(49-20-10-11-31-52-49)44-28-25-37(26-29-44)40-27-30-47-48(34-40)51(42-24-22-36-13-5-7-15-39(36)33-42)46-19-9-8-18-45(46)50(47)41-23-21-35-12-4-6-14-38(35)32-41;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;18-14-9-11-16(12-10-14)20(15-6-2-1-3-7-15)17-8-4-5-13-19-17/h1-34H;5-25H,1-4H3;1-13H
InChIKeySEYQYBPMPLTBNE-UHFFFAOYSA-N
MW1556.57 g/mol
LogP29.41
Rot. Bonds12

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

N-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 160816393) has the molecular formula C108H80BBrN4O2 and a molecular weight of 1556.57 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-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-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID160816393
Molecular FormulaC108H80BBrN4O2
Molecular Weight1556.57 g/mol
Exact Mass1554.56
IUPAC NameN-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESBrc1ccc(N(c2ccccc2)c2ccccn2)cc1.CC1(C)OB(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)OC1(C)C.c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)cc1
InChIInChI=1S/C51H34N2.C40H33BO2.C17H13BrN2/c1-2-16-43(17-3-1)53(49-20-10-11-31-52-49)44-28-25-37(26-29-44)40-27-30-47-48(34-40)51(42-24-22-36-13-5-7-15-39(36)33-42)46-19-9-8-18-45(46)50(47)41-23-21-35-12-4-6-14-38(35)32-41;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;18-14-9-11-16(12-10-14)20(15-6-2-1-3-7-15)17-8-4-5-13-19-17/h1-34H;5-25H,1-4H3;1-13H
InChIKeySEYQYBPMPLTBNE-UHFFFAOYSA-N
XLogP29.41
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001556.57
LogP ≤ 529.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-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

Related Compounds

N-[4-(Pyren-1-YL)phenyl]-N-(pyridin-2-YL)pyridin-2-amine
CID 58262066
N-[4'-(Pyren-1-yl)[1,1'-biphenyl]-4-yl]-N-(pyridin-2-yl)pyridin-2-amine
CID 60132554
6-bromo-3,3-difluoro-7-methyl-2,4-dihydro-1H-naphthalene;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 159194183
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 58121636
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 58121643
N-[4-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 58121654
N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine
CID 58121671
N-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 58121674
N-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 58121676
3,8-dimethyl-1-N,6-N-dinaphthalen-1-yl-1-N,6-N-dipyridin-2-ylpyrene-1,6-diamine
CID 58383853
2-N,6-N-bis(3,5-dimethylphenyl)-9,10-dimethyl-2-N,6-N-dipyridin-2-ylanthracene-2,6-diamine
CID 58855110
9,10-bis(4-phenylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-bis(2,3,5,6-tetramethylphenyl)anthracene-2,6-diamine
CID 58855137

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-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-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 160816393) is N-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-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-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-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-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Brc1ccc(N(c2ccccc2)c2ccccn2)cc1.CC1(C)OB(c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)OC1(C)C.c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SEYQYBPMPLTBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2.C40H33BO2.C17H13BrN2/c1-2-16-43(17-3-1)53(49-20-10-11-31-52-49)44-28-25-37(26-29-44)40-27-30-47-48(34-40)51(42-24-22-36-13-5-7-15-39(36)33-42)46-19-9-8-18-45(46)50(47)41-23-21-35-12-4-6-14-38(35)32-41;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;18-14-9-11-16(12-10-14)20(15-6-2-1-3-7-15)17-8-4-5-13-19-17/h1-34H;5-25H,1-4H3;1-13H.
What are the key properties of N-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
N-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1556.57 g/mol, XLogP of 29.41, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-phenylpyridin-2-amine;N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 160816393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).