2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine

C124H98B3BrN6O6 — CID 160914600

IUPAC2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine
SMILESBrc1c2cccc(-c3ccccn3)c2cc2c(-c3ccccn3)cccc12.CC1(C)OB(c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)OC1(C)C.OB(O)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccccc3)cc2)cc1.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2cccc3cc4cccc(-c5ccccn5)c4cc23)nc1
InChIInChI=1S/C32H29BO2.C26H22BNO2.C24H15BrN2.C24H16N2.C18H16BNO2/c1-31(2)32(3,4)35-33(34-31)24-19-20-27-28(21-24)30(23-15-9-6-10-16-23)26-18-12-11-17-25(26)29(27)22-13-7-5-8-14-22;29-27(30)23-15-19-26(20-16-23)28(24-9-5-2-6-10-24)25-17-13-22(14-18-25)12-11-21-7-3-1-4-8-21;25-24-18-9-5-7-16(22-11-1-3-13-26-22)20(18)15-21-17(8-6-10-19(21)24)23-12-2-4-14-27-23;1-3-13-25-23(11-1)19-9-5-7-17-15-18-8-6-10-20(22(18)16-21(17)19)24-12-2-4-14-26-24;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h5-21H,1-4H3;1-20,29-30H;1-15H;1-16H;1-14,21-22H/b;12-11+;;;
InChIKeySRFUYVHUNMTIDU-HDWVHSOMSA-N
MW1880.52 g/mol
LogP28.47
Rot. Bonds17

About 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine

2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine (PubChem CID 160914600) has the molecular formula C124H98B3BrN6O6 and a molecular weight of 1880.52 g/mol. Its IUPAC name is 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine.

Molecular Properties

Compound Name2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine
PubChem CID160914600
Molecular FormulaC124H98B3BrN6O6
Molecular Weight1880.52 g/mol
Exact Mass1878.70
IUPAC Name2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine
SMILESBrc1c2cccc(-c3ccccn3)c2cc2c(-c3ccccn3)cccc12.CC1(C)OB(c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)OC1(C)C.OB(O)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccccc3)cc2)cc1.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2cccc3cc4cccc(-c5ccccn5)c4cc23)nc1
InChIInChI=1S/C32H29BO2.C26H22BNO2.C24H15BrN2.C24H16N2.C18H16BNO2/c1-31(2)32(3,4)35-33(34-31)24-19-20-27-28(21-24)30(23-15-9-6-10-16-23)26-18-12-11-17-25(26)29(27)22-13-7-5-8-14-22;29-27(30)23-15-19-26(20-16-23)28(24-9-5-2-6-10-24)25-17-13-22(14-18-25)12-11-21-7-3-1-4-8-21;25-24-18-9-5-7-16(22-11-1-3-13-26-22)20(18)15-21-17(8-6-10-19(21)24)23-12-2-4-14-27-23;1-3-13-25-23(11-1)19-9-5-7-17-15-18-8-6-10-20(22(18)16-21(17)19)24-12-2-4-14-26-24;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h5-21H,1-4H3;1-20,29-30H;1-15H;1-16H;1-14,21-22H/b;12-11+;;;
InChIKeySRFUYVHUNMTIDU-HDWVHSOMSA-N
XLogP28.47
TPSA157.42 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.52
LogP ≤ 528.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine with MolForge

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Related Compounds

2-[3-Pyridin-2-yl-5-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyren-1-yl]phenyl]pyridine
CID 123277900
2-[3-Pyridin-2-yl-5-[12-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]chrysen-6-yl]phenyl]pyridine
CID 123896412
5-[2-[3,5-Bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]pyridine
CID 134313271
4-[5-[2-[3,5-Bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-pyridinyl]-2-[4-(2-bromophenyl)phenyl]pyridine
CID 134313366
2-[4-(2-Bromophenyl)phenyl]-4-[5-[2-[3-[2-(6-cyclohexa-1,5-dien-3-yn-1-yl-3-pyridinyl)phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-pyridinyl]pyridine
CID 134313367
2-[4-[3-(3,4-Dipyridin-2-ylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-pyridin-2-ylphenyl]pyridine
CID 140816085
5-[2-[3,5-Bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]pyridine
CID 141693311
2-Phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-[6-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 141693450
4-(3-Bromophenyl)pyridine;ethane;7-phenyl-5,9-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrobenzo[c]carbazole
CID 144195951
5-[2-[3-Bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane
CID 145132328
4-Bromo-6-methylisoquinoline;(6-methylisoquinolin-4-yl)boronic acid;6-methyl-4-quinolin-2-ylisoquinoline
CID 157071234
5-Bromo-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine;methane;2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157117466

Frequently Asked Questions

What is the IUPAC name of 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine?
The IUPAC name of 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine (CID 160914600) is 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine.
What is the SMILES notation for 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine?
The canonical SMILES for 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine is Brc1c2cccc(-c3ccccn3)c2cc2c(-c3ccccn3)cccc12.CC1(C)OB(c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)OC1(C)C.OB(O)c1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccccc3)cc2)cc1.OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2cccc3cc4cccc(-c5ccccn5)c4cc23)nc1.
What is the InChIKey of 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine?
The InChIKey is SRFUYVHUNMTIDU-HDWVHSOMSA-N. The full InChI is InChI=1S/C32H29BO2.C26H22BNO2.C24H15BrN2.C24H16N2.C18H16BNO2/c1-31(2)32(3,4)35-33(34-31)24-19-20-27-28(21-24)30(23-15-9-6-10-16-23)26-18-12-11-17-25(26)29(27)22-13-7-5-8-14-22;29-27(30)23-15-19-26(20-16-23)28(24-9-5-2-6-10-24)25-17-13-22(14-18-25)12-11-21-7-3-1-4-8-21;25-24-18-9-5-7-16(22-11-1-3-13-26-22)20(18)15-21-17(8-6-10-19(21)24)23-12-2-4-14-27-23;1-3-13-25-23(11-1)19-9-5-7-17-15-18-8-6-10-20(22(18)16-21(17)19)24-12-2-4-14-26-24;21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h5-21H,1-4H3;1-20,29-30H;1-15H;1-16H;1-14,21-22H/b;12-11+;;;.
What are the key properties of 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine?
2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine has a molecular weight of 1880.52 g/mol, XLogP of 28.47, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine;2-(9,10-diphenylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[4-(N-phenylanilino)phenyl]boronic acid;[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]boronic acid;2-(8-pyridin-2-ylanthracen-1-yl)pyridine is sourced from PubChem (CID 160914600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).