N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine

C82H58BBrN4O2 — CID 158028545

IUPACN-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine
SMILESBrc1ccc(N(c2ccccc2)c2ccccn2)cc1.OB(O)c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.c1ccc(N(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c2ccccn2)cc1
InChIInChI=1S/C41H28N2.C24H17BO2.C17H13BrN2/c1-2-15-31(16-3-1)43(39-23-10-11-28-42-39)32-26-24-30(25-27-32)40-35-18-6-8-20-37(35)41(38-21-9-7-19-36(38)40)34-22-12-14-29-13-4-5-17-33(29)34;26-25(27)24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18;18-14-9-11-16(12-10-14)20(15-6-2-1-3-7-15)17-8-4-5-13-19-17/h1-28H;1-15,26-27H;1-13H
InChIKeyFGWZDCNHTKGQKC-UHFFFAOYSA-N
MW1222.11 g/mol
LogP21.15
Rot. Bonds10

About N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine

N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine (PubChem CID 158028545) has the molecular formula C82H58BBrN4O2 and a molecular weight of 1222.11 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine
PubChem CID158028545
Molecular FormulaC82H58BBrN4O2
Molecular Weight1222.11 g/mol
Exact Mass1220.38
IUPAC NameN-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine
SMILESBrc1ccc(N(c2ccccc2)c2ccccn2)cc1.OB(O)c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.c1ccc(N(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c2ccccn2)cc1
InChIInChI=1S/C41H28N2.C24H17BO2.C17H13BrN2/c1-2-15-31(16-3-1)43(39-23-10-11-28-42-39)32-26-24-30(25-27-32)40-35-18-6-8-20-37(35)41(38-21-9-7-19-36(38)40)34-22-12-14-29-13-4-5-17-33(29)34;26-25(27)24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18;18-14-9-11-16(12-10-14)20(15-6-2-1-3-7-15)17-8-4-5-13-19-17/h1-28H;1-15,26-27H;1-13H
InChIKeyFGWZDCNHTKGQKC-UHFFFAOYSA-N
XLogP21.15
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001222.11
LogP ≤ 521.15
H-Bond Donors ≤ 52
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;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine with MolForge

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Related Compounds

4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390674
N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylisoquinolin-1-amine
CID 59390724
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
1-bromo-5-(4-bromophenyl)naphthalene;(4-bromophenyl)boronic acid;1,5-dibromonaphthalene;(10-phenylanthracen-9-yl)boronic acid;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene
CID 157421557
N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 59390587
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine
CID 58121682
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
6-fluoro-N-phenyl-N-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]pyridin-2-amine
CID 59390581
4-[10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 118027309
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
N-[4-[2-(4-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327931

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine?
The IUPAC name of N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine (CID 158028545) is N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine is Brc1ccc(N(c2ccccc2)c2ccccn2)cc1.OB(O)c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.c1ccc(N(c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c2ccccn2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine?
The InChIKey is FGWZDCNHTKGQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2.C24H17BO2.C17H13BrN2/c1-2-15-31(16-3-1)43(39-23-10-11-28-42-39)32-26-24-30(25-27-32)40-35-18-6-8-20-37(35)41(38-21-9-7-19-36(38)40)34-22-12-14-29-13-4-5-17-33(29)34;26-25(27)24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18;18-14-9-11-16(12-10-14)20(15-6-2-1-3-7-15)17-8-4-5-13-19-17/h1-28H;1-15,26-27H;1-13H.
What are the key properties of N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine?
N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine has a molecular weight of 1222.11 g/mol, XLogP of 21.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 158028545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).