4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline

C149H93N9 — CID 158353783

IUPAC4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)cncc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)cc2c1
InChIInChI=1S/2C53H33N3.C43H27N3/c1-4-14-42-38(11-1)30-48(46-18-8-6-16-44(42)46)35-23-25-36(26-24-35)51-32-52(49-31-39-12-2-5-15-43(39)45-17-7-9-19-47(45)49)56-53(55-51)37-27-21-34(22-28-37)41-29-40-13-3-10-20-50(40)54-33-41;1-4-14-41-38(11-1)29-48(46-19-9-7-17-44(41)46)34-21-25-36(26-22-34)51-31-52(49-30-39-12-2-5-15-42(39)45-18-8-10-20-47(45)49)56-53(55-51)37-27-23-35(24-28-37)50-33-54-32-40-13-3-6-16-43(40)50;1-3-13-32-30(11-1)25-38(36-17-7-5-15-34(32)36)41-27-42(39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39)46-43(45-41)29-22-20-28(21-23-29)40-19-9-10-24-44-40/h2*1-33H;1-27H
InChIKeyGSQDSQMDARUJPG-UHFFFAOYSA-N
MW2009.45 g/mol
LogP39.10
Rot. Bonds14

About 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline

4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline (PubChem CID 158353783) has the molecular formula C149H93N9 and a molecular weight of 2009.45 g/mol. Its IUPAC name is 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
PubChem CID158353783
Molecular FormulaC149H93N9
Molecular Weight2009.45 g/mol
Exact Mass2007.76
IUPAC Name4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)cncc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)cc2c1
InChIInChI=1S/2C53H33N3.C43H27N3/c1-4-14-42-38(11-1)30-48(46-18-8-6-16-44(42)46)35-23-25-36(26-24-35)51-32-52(49-31-39-12-2-5-15-43(39)45-17-7-9-19-47(45)49)56-53(55-51)37-27-21-34(22-28-37)41-29-40-13-3-10-20-50(40)54-33-41;1-4-14-41-38(11-1)29-48(46-19-9-7-17-44(41)46)34-21-25-36(26-22-34)51-31-52(49-30-39-12-2-5-15-42(39)45-18-8-10-20-47(45)49)56-53(55-51)37-27-23-35(24-28-37)50-33-54-32-40-13-3-6-16-43(40)50;1-3-13-32-30(11-1)25-38(36-17-7-5-15-34(32)36)41-27-42(39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39)46-43(45-41)29-22-20-28(21-23-29)40-19-9-10-24-44-40/h2*1-33H;1-27H
InChIKeyGSQDSQMDARUJPG-UHFFFAOYSA-N
XLogP39.10
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002009.45
LogP ≤ 539.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline with MolForge

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Related Compounds

3-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]quinoline
CID 58462269
4-[4-[6-(4-naphthalen-2-ylphenyl)-2-(4-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384410
4-[4-[2,6-bis(4-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2,6-bis(4-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 162142337
4-[4-[2-(3-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121477601
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]quinoline;8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 161138010
4-[4-[4-[6-naphthalen-1-yl-2-(3-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]isoquinoline
CID 146382670
4-[4-[6-(3-naphthalen-2-ylphenyl)-2-(4-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2-(3-phenanthren-9-ylphenyl)-6-(4-phenanthren-9-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 159478984
6-[4-[2-phenanthren-9-yl-6-[4-[4-[2-phenanthren-9-yl-6-(4-quinolin-6-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]phenyl]quinoline
CID 88558005
3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 158905185
3-[4-[3-[2,6-di(quinolin-3-yl)pyrimidin-4-yl]phenyl]-6-quinolin-3-ylpyrimidin-2-yl]quinoline;2-naphthalen-2-yl-4-[4-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidine;3-[4-[2-naphthalen-2-yl-6-[3-[2-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-[3-[6-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrimidin-2-yl]phenyl]quinoline;3-[4-[2-phenanthren-9-yl-6-[3-[2-phenanthren-9-yl-6-(4-quinolin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrimidin-4-yl]phenyl]quinoline;3-[4-[4-phenanthren-9-yl-6-[3-[6-phenanthren-9-yl-2-(4-quinolin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrimidin-2-yl]phenyl]quinoline
CID 157214730
4-[4-[2-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[6-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;4-[4-[2-(3-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 160657803
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 158472382

Frequently Asked Questions

What is the IUPAC name of 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?
The IUPAC name of 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline (CID 158353783) is 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline.
What is the SMILES notation for 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?
The canonical SMILES for 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline is c1ccc(-c2ccc(-c3nc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)cncc2c1.c1ccc2ncc(-c3ccc(-c4nc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)cc2c1.
What is the InChIKey of 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?
The InChIKey is GSQDSQMDARUJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H33N3.C43H27N3/c1-4-14-42-38(11-1)30-48(46-18-8-6-16-44(42)46)35-23-25-36(26-24-35)51-32-52(49-31-39-12-2-5-15-43(39)45-17-7-9-19-47(45)49)56-53(55-51)37-27-21-34(22-28-37)41-29-40-13-3-10-20-50(40)54-33-41;1-4-14-41-38(11-1)29-48(46-19-9-7-17-44(41)46)34-21-25-36(26-22-34)51-31-52(49-30-39-12-2-5-15-42(39)45-18-8-10-20-47(45)49)56-53(55-51)37-27-23-35(24-28-37)50-33-54-32-40-13-3-6-16-43(40)50;1-3-13-32-30(11-1)25-38(36-17-7-5-15-34(32)36)41-27-42(39-26-31-12-2-4-14-33(31)35-16-6-8-18-37(35)39)46-43(45-41)29-22-20-28(21-23-29)40-19-9-10-24-44-40/h2*1-33H;1-27H.
What are the key properties of 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline?
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline has a molecular weight of 2009.45 g/mol, XLogP of 39.10, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline is sourced from PubChem (CID 158353783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).