2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine

C127H85N9 — CID 158601349

IUPAC2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine
SMILESC1=Cc2cc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5cc6ccccc6c6ccccc56)n4)c3)ccc2NC1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccnc5)c4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccnc5)c4)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C45H29N3.C45H31N3.C37H25N3/c1-2-10-30(11-3-1)31-19-21-32(22-20-31)43-28-44(34-13-8-12-33(26-34)36-14-9-25-46-29-36)48-45(47-43)35-23-24-41-39-17-5-4-15-37(39)38-16-6-7-18-40(38)42(41)27-35;1-2-10-30(11-3-1)31-19-21-32(22-20-31)43-29-44(37-14-8-13-33(26-37)34-23-24-42-36(27-34)15-9-25-46-42)48-45(47-43)41-28-35-12-4-5-16-38(35)39-17-6-7-18-40(39)41;1-2-9-26(10-3-1)27-18-20-29(21-19-27)35-24-36(31-14-6-13-30(23-31)32-15-8-22-38-25-32)40-37(39-35)34-17-7-12-28-11-4-5-16-33(28)34/h1-29H;1-24,26-29,46H,25H2;1-25H
InChIKeyHVRDPAIPBWISPV-UHFFFAOYSA-N
MW1737.14 g/mol
LogP32.58
Rot. Bonds15

About 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine

2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine (PubChem CID 158601349) has the molecular formula C127H85N9 and a molecular weight of 1737.14 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine
PubChem CID158601349
Molecular FormulaC127H85N9
Molecular Weight1737.14 g/mol
Exact Mass1735.69
IUPAC Name2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine
SMILESC1=Cc2cc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5cc6ccccc6c6ccccc56)n4)c3)ccc2NC1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccnc5)c4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccnc5)c4)nc(-c4cccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C45H29N3.C45H31N3.C37H25N3/c1-2-10-30(11-3-1)31-19-21-32(22-20-31)43-28-44(34-13-8-12-33(26-34)36-14-9-25-46-29-36)48-45(47-43)35-23-24-41-39-17-5-4-15-37(39)38-16-6-7-18-40(38)42(41)27-35;1-2-10-30(11-3-1)31-19-21-32(22-20-31)43-29-44(37-14-8-13-33(26-37)34-23-24-42-36(27-34)15-9-25-46-42)48-45(47-43)41-28-35-12-4-5-16-38(35)39-17-6-7-18-40(39)41;1-2-9-26(10-3-1)27-18-20-29(21-19-27)35-24-36(31-14-6-13-30(23-31)32-15-8-22-38-25-32)40-37(39-35)34-17-7-12-28-11-4-5-16-33(28)34/h1-29H;1-24,26-29,46H,25H2;1-25H
InChIKeyHVRDPAIPBWISPV-UHFFFAOYSA-N
XLogP32.58
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001737.14
LogP ≤ 532.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 121477553
4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine
CID 121477401
4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 159291007
2-(3-naphthalen-1-ylphenyl)-4-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477588
2-(3-naphthalen-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-2-ylphenyl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 161484198
2,4-bis(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 160517437
2-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130268379
2-(3-anthracen-9-ylphenyl)-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 135189619
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583
2-naphthalen-2-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(3-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 158842275
2-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130268432

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine?
The IUPAC name of 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine (CID 158601349) is 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine.
What is the SMILES notation for 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine?
The canonical SMILES for 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine is C1=Cc2cc(-c3cccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5cc6ccccc6c6ccccc56)n4)c3)ccc2NC1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccnc5)c4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccnc5)c4)nc(-c4cccc5ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine?
The InChIKey is HVRDPAIPBWISPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3.C45H31N3.C37H25N3/c1-2-10-30(11-3-1)31-19-21-32(22-20-31)43-28-44(34-13-8-12-33(26-34)36-14-9-25-46-29-36)48-45(47-43)35-23-24-41-39-17-5-4-15-37(39)38-16-6-7-18-40(38)42(41)27-35;1-2-10-30(11-3-1)31-19-21-32(22-20-31)43-29-44(37-14-8-13-33(26-37)34-23-24-42-36(27-34)15-9-25-46-42)48-45(47-43)41-28-35-12-4-5-16-38(35)39-17-6-7-18-40(39)41;1-2-9-26(10-3-1)27-18-20-29(21-19-27)35-24-36(31-14-6-13-30(23-31)32-15-8-22-38-25-32)40-37(39-35)34-17-7-12-28-11-4-5-16-33(28)34/h1-29H;1-24,26-29,46H,25H2;1-25H.
What are the key properties of 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine?
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine has a molecular weight of 1737.14 g/mol, XLogP of 32.58, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine;6-[3-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-dihydroquinoline;4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine is sourced from PubChem (CID 158601349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).