4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline

C117H77N7 — CID 157403455

IUPAC4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C59H39N3.C58H38N4/c1-5-15-40(16-6-1)42-25-29-44(30-26-42)52-37-54-53(38-55(60-58(54)51-24-14-13-23-50(51)52)48-33-27-43(28-34-48)41-17-7-2-8-18-41)45-31-35-49(36-32-45)59-61-56(46-19-9-3-10-20-46)39-57(62-59)47-21-11-4-12-22-47;1-5-15-39(16-6-1)41-25-29-43(30-26-41)51-37-53-52(38-54(59-55(53)50-24-14-13-23-49(50)51)45-33-27-42(28-34-45)40-17-7-2-8-18-40)44-31-35-48(36-32-44)58-61-56(46-19-9-3-10-20-46)60-57(62-58)47-21-11-4-12-22-47/h1-39H;1-38H
InChIKeyBNLDHDRIHNLMOB-UHFFFAOYSA-N
MW1580.95 g/mol
LogP30.42
Rot. Bonds16

About 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline

4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline (PubChem CID 157403455) has the molecular formula C117H77N7 and a molecular weight of 1580.95 g/mol. Its IUPAC name is 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline.

Molecular Properties

Compound Name4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
PubChem CID157403455
Molecular FormulaC117H77N7
Molecular Weight1580.95 g/mol
Exact Mass1579.62
IUPAC Name4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C59H39N3.C58H38N4/c1-5-15-40(16-6-1)42-25-29-44(30-26-42)52-37-54-53(38-55(60-58(54)51-24-14-13-23-50(51)52)48-33-27-43(28-34-48)41-17-7-2-8-18-41)45-31-35-49(36-32-45)59-61-56(46-19-9-3-10-20-46)39-57(62-59)47-21-11-4-12-22-47;1-5-15-39(16-6-1)41-25-29-43(30-26-41)51-37-53-52(38-54(59-55(53)50-24-14-13-23-49(50)51)45-33-27-42(28-34-45)40-17-7-2-8-18-40)44-31-35-48(36-32-44)58-61-56(46-19-9-3-10-20-46)60-57(62-58)47-21-11-4-12-22-47/h1-39H;1-38H
InChIKeyBNLDHDRIHNLMOB-UHFFFAOYSA-N
XLogP30.42
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001580.95
LogP ≤ 530.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline with MolForge

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Related Compounds

4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline
CID 162043416
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836420
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89137298
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
[4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine
CID 121441204
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
CID 89137414
2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
CID 70958757
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958913
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline?
The IUPAC name of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline (CID 157403455) is 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline.
What is the SMILES notation for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline?
The canonical SMILES for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4n3)cc2)cc1.
What is the InChIKey of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline?
The InChIKey is BNLDHDRIHNLMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3.C58H38N4/c1-5-15-40(16-6-1)42-25-29-44(30-26-42)52-37-54-53(38-55(60-58(54)51-24-14-13-23-50(51)52)48-33-27-43(28-34-48)41-17-7-2-8-18-41)45-31-35-49(36-32-45)59-61-56(46-19-9-3-10-20-46)39-57(62-59)47-21-11-4-12-22-47;1-5-15-39(16-6-1)41-25-29-43(30-26-41)51-37-53-52(38-54(59-55(53)50-24-14-13-23-49(50)51)45-33-27-42(28-34-45)40-17-7-2-8-18-40)44-31-35-48(36-32-44)58-61-56(46-19-9-3-10-20-46)60-57(62-58)47-21-11-4-12-22-47/h1-39H;1-38H.
What are the key properties of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline?
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline has a molecular weight of 1580.95 g/mol, XLogP of 30.42, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline is sourced from PubChem (CID 157403455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).