5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine

C102H76Br4N6 — CID 153448944

IUPAC5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
SMILESBrc1cccc(-c2ccc(-c3ccccc3C3CC(c4ccccc4-c4ccc(-c5ncc(-c6ccccc6C6CC(c7ccccc7-c7ccc(-c8cccc(Br)c8)nc7)CC(c7ccccc7-c7ccc(-c8cccc(Br)c8)nc7)C6)cn5)cc4)CC(c4ccccc4-c4ccc(-c5cccc(Br)c5)nc4)C3)cn2)c1
InChIInChI=1S/C102H76Br4N6/c103-82-21-13-17-67(55-82)98-45-41-71(59-107-98)87-26-2-7-31-92(87)76-49-75(50-77(51-76)93-32-8-3-27-88(93)72-42-46-99(108-60-72)68-18-14-22-83(104)56-68)91-30-6-1-25-86(91)65-37-39-66(40-38-65)102-111-63-81(64-112-102)97-36-12-11-35-96(97)80-53-78(94-33-9-4-28-89(94)73-43-47-100(109-61-73)69-19-15-23-84(105)57-69)52-79(54-80)95-34-10-5-29-90(95)74-44-48-101(110-62-74)70-20-16-24-85(106)58-70/h1-48,55-64,75-80H,49-54H2
InChIKeyZBXNXJUWNAWOTN-UHFFFAOYSA-N
MW1705.39 g/mol
LogP29.11
Rot. Bonds17

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

5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine (PubChem CID 153448944) has the molecular formula C102H76Br4N6 and a molecular weight of 1705.39 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
PubChem CID153448944
Molecular FormulaC102H76Br4N6
Molecular Weight1705.39 g/mol
Exact Mass1700.29
IUPAC Name5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine
SMILESBrc1cccc(-c2ccc(-c3ccccc3C3CC(c4ccccc4-c4ccc(-c5ncc(-c6ccccc6C6CC(c7ccccc7-c7ccc(-c8cccc(Br)c8)nc7)CC(c7ccccc7-c7ccc(-c8cccc(Br)c8)nc7)C6)cn5)cc4)CC(c4ccccc4-c4ccc(-c5cccc(Br)c5)nc4)C3)cn2)c1
InChIInChI=1S/C102H76Br4N6/c103-82-21-13-17-67(55-82)98-45-41-71(59-107-98)87-26-2-7-31-92(87)76-49-75(50-77(51-76)93-32-8-3-27-88(93)72-42-46-99(108-60-72)68-18-14-22-83(104)56-68)91-30-6-1-25-86(91)65-37-39-66(40-38-65)102-111-63-81(64-112-102)97-36-12-11-35-96(97)80-53-78(94-33-9-4-28-89(94)73-43-47-100(109-61-73)69-19-15-23-84(105)57-69)52-79(54-80)95-34-10-5-29-90(95)74-44-48-101(110-62-74)70-20-16-24-85(106)58-70/h1-48,55-64,75-80H,49-54H2
InChIKeyZBXNXJUWNAWOTN-UHFFFAOYSA-N
XLogP29.11
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001705.39
LogP ≤ 529.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine with MolForge

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Related Compounds

5-[2-[3,5-bis[2-[6-[3-(2,5-dimethylphenyl)phenyl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(2,5-dimethylphenyl)phenyl]pyridine
CID 153438979
5-[2-[3,5-bis[2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(3-bromobenzene-6-id-1-yl)-4-phenylpyridine;iridium(3+)
CID 153439067
5-(2-bromophenyl)-2-[(12S)-4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl]pyridine
CID 134434324
5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153439051
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]-3-bromophenyl]-4-tert-butylpyridine
CID 153449021
5-(2-phenylphenyl)-2-[4-[5-(2-phenylphenyl)pyrimidin-2-yl]phenyl]pyrimidine
CID 140968105
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2-(3-bromobenzene-6-id-1-yl)-5-[2-[3-[2-[6-(3-bromobenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]-4-tert-butylphenyl]-5-[2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-4-phenylpyridine;iridium(3+)
CID 153439088
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
5-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]cyclohexyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(rhodium(3+))
CID 153449012
2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine
CID 138744264
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)
CID 157240153

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine (CID 153448944) is 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine is Brc1cccc(-c2ccc(-c3ccccc3C3CC(c4ccccc4-c4ccc(-c5ncc(-c6ccccc6C6CC(c7ccccc7-c7ccc(-c8cccc(Br)c8)nc7)CC(c7ccccc7-c7ccc(-c8cccc(Br)c8)nc7)C6)cn5)cc4)CC(c4ccccc4-c4ccc(-c5cccc(Br)c5)nc4)C3)cn2)c1.
What is the InChIKey of 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine?
The InChIKey is ZBXNXJUWNAWOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H76Br4N6/c103-82-21-13-17-67(55-82)98-45-41-71(59-107-98)87-26-2-7-31-92(87)76-49-75(50-77(51-76)93-32-8-3-27-88(93)72-42-46-99(108-60-72)68-18-14-22-83(104)56-68)91-30-6-1-25-86(91)65-37-39-66(40-38-65)102-111-63-81(64-112-102)97-36-12-11-35-96(97)80-53-78(94-33-9-4-28-89(94)73-43-47-100(109-61-73)69-19-15-23-84(105)57-69)52-79(54-80)95-34-10-5-29-90(95)74-44-48-101(110-62-74)70-20-16-24-85(106)58-70/h1-48,55-64,75-80H,49-54H2.
What are the key properties of 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine?
5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine has a molecular weight of 1705.39 g/mol, XLogP of 29.11, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-[6-(3-bromophenyl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 153448944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).