4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine

C55H33Br4N5 — CID 134313306

IUPAC4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine
SMILESBrc1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7Br)cn6)nc(-c6ccc(-c7ccccc7Br)cn6)c5)cc4Br)cn3)cn2)cc1
InChIInChI=1S/C55H33Br4N5/c56-46-10-4-1-7-42(46)34-13-15-35(16-14-34)50-24-21-40(33-61-50)51-23-18-39(30-60-51)45-22-17-36(27-49(45)59)41-28-54(52-25-19-37(31-62-52)43-8-2-5-11-47(43)57)64-55(29-41)53-26-20-38(32-63-53)44-9-3-6-12-48(44)58/h1-33H
InChIKeyKKVCOIJRRBJMIF-UHFFFAOYSA-N
MW1083.52 g/mol
LogP16.71
Rot. Bonds9

About 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine

4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine (PubChem CID 134313306) has the molecular formula C55H33Br4N5 and a molecular weight of 1083.52 g/mol. Its IUPAC name is 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine
PubChem CID134313306
Molecular FormulaC55H33Br4N5
Molecular Weight1083.52 g/mol
Exact Mass1078.95
IUPAC Name4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine
SMILESBrc1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7Br)cn6)nc(-c6ccc(-c7ccccc7Br)cn6)c5)cc4Br)cn3)cn2)cc1
InChIInChI=1S/C55H33Br4N5/c56-46-10-4-1-7-42(46)34-13-15-35(16-14-34)50-24-21-40(33-61-50)51-23-18-39(30-60-51)45-22-17-36(27-49(45)59)41-28-54(52-25-19-37(31-62-52)43-8-2-5-11-47(43)57)64-55(29-41)53-26-20-38(32-63-53)44-9-3-6-12-48(44)58/h1-33H
InChIKeyKKVCOIJRRBJMIF-UHFFFAOYSA-N
XLogP16.71
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.52
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine?
The IUPAC name of 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine (CID 134313306) is 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine?
The canonical SMILES for 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine is Brc1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccc7Br)cn6)nc(-c6ccc(-c7ccccc7Br)cn6)c5)cc4Br)cn3)cn2)cc1.
What is the InChIKey of 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine?
The InChIKey is KKVCOIJRRBJMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33Br4N5/c56-46-10-4-1-7-42(46)34-13-15-35(16-14-34)50-24-21-40(33-61-50)51-23-18-39(30-60-51)45-22-17-36(27-49(45)59)41-28-54(52-25-19-37(31-62-52)43-8-2-5-11-47(43)57)64-55(29-41)53-26-20-38(32-63-53)44-9-3-6-12-48(44)58/h1-33H.
What are the key properties of 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine?
4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine has a molecular weight of 1083.52 g/mol, XLogP of 16.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-4-[6-[6-[4-(2-bromophenyl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-2,6-bis[5-(2-bromophenyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 134313306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).