3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine

C154H100N14 — CID 164991562

IUPAC3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
SMILESc1cc(-c2cncc(-c3ccncc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5ccncc5)c4)c3)cc(-c3cc4ccccc4c4ccccc34)c2)c1.c1cc(-c2cncc(-c3cncnc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5cncnc5)c4)c3)cc(-c3cc4ccccc4c4ccccc34)c2)c1.c1cncc(-c2cncc(-c3cccc(-c4cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)cc(-c5cc6ccccc6c6ccccc56)c4)c3)c2)c1
InChIInChI=1S/2C52H34N4.C50H32N6/c1-2-16-49-39(9-1)28-52(51-18-4-3-17-50(49)51)44-24-42(35-10-5-12-37(21-35)45-26-47(33-55-31-45)40-14-7-19-53-29-40)23-43(25-44)36-11-6-13-38(22-36)46-27-48(34-56-32-46)41-15-8-20-54-30-41;1-2-12-49-41(7-1)30-52(51-14-4-3-13-50(49)51)44-26-42(37-8-5-10-39(23-37)47-28-45(31-55-33-47)35-15-19-53-20-16-35)25-43(27-44)38-9-6-11-40(24-38)48-29-46(32-56-34-48)36-17-21-54-22-18-36;1-2-12-47-37(7-1)22-50(49-14-4-3-13-48(47)49)40-18-38(33-8-5-10-35(15-33)41-20-43(25-51-23-41)45-27-53-31-54-28-45)17-39(19-40)34-9-6-11-36(16-34)42-21-44(26-52-24-42)46-29-55-32-56-30-46/h2*1-34H;1-32H
InChIKeyGXWJHOCIUXWYSK-UHFFFAOYSA-N
MW2146.59 g/mol
LogP38.52
Rot. Bonds21

About 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine

3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine (PubChem CID 164991562) has the molecular formula C154H100N14 and a molecular weight of 2146.59 g/mol. Its IUPAC name is 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
PubChem CID164991562
Molecular FormulaC154H100N14
Molecular Weight2146.59 g/mol
Exact Mass2144.83
IUPAC Name3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
SMILESc1cc(-c2cncc(-c3ccncc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5ccncc5)c4)c3)cc(-c3cc4ccccc4c4ccccc34)c2)c1.c1cc(-c2cncc(-c3cncnc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5cncnc5)c4)c3)cc(-c3cc4ccccc4c4ccccc34)c2)c1.c1cncc(-c2cncc(-c3cccc(-c4cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)cc(-c5cc6ccccc6c6ccccc56)c4)c3)c2)c1
InChIInChI=1S/2C52H34N4.C50H32N6/c1-2-16-49-39(9-1)28-52(51-18-4-3-17-50(49)51)44-24-42(35-10-5-12-37(21-35)45-26-47(33-55-31-45)40-14-7-19-53-29-40)23-43(25-44)36-11-6-13-38(22-36)46-27-48(34-56-32-46)41-15-8-20-54-30-41;1-2-12-49-41(7-1)30-52(51-14-4-3-13-50(49)51)44-26-42(37-8-5-10-39(23-37)47-28-45(31-55-33-47)35-15-19-53-20-16-35)25-43(27-44)38-9-6-11-40(24-38)48-29-46(32-56-34-48)36-17-21-54-22-18-36;1-2-12-47-37(7-1)22-50(49-14-4-3-13-48(47)49)40-18-38(33-8-5-10-35(15-33)41-20-43(25-51-23-41)45-27-53-31-54-28-45)17-39(19-40)34-9-6-11-36(16-34)42-21-44(26-52-24-42)46-29-55-32-56-30-46/h2*1-34H;1-32H
InChIKeyGXWJHOCIUXWYSK-UHFFFAOYSA-N
XLogP38.52
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.59
LogP ≤ 538.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine with MolForge

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Related Compounds

5-[3-[3-[3-phenanthren-9-yl-5-[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 155116803
5-[3-[3-[3-pyridin-3-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 164785648
5-[3,5-bis[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyrimidine;5-[3,5-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]pyrimidine
CID 165097309
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
2,4-diphenyl-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(4-pyridin-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-(3-pyridin-4-ylphenyl)phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 167541800
2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466231
2,4-diphenyl-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;3-[3-pyridin-3-yl-5-[2-(3-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(3-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 160706357
2,4-diphenyl-6-[3-(4-pyridin-4-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(4-pyridin-3-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 167604835
6-(4-phenanthren-9-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 137473475
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine?
The IUPAC name of 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine (CID 164991562) is 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine.
What is the SMILES notation for 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine?
The canonical SMILES for 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine is c1cc(-c2cncc(-c3ccncc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5ccncc5)c4)c3)cc(-c3cc4ccccc4c4ccccc34)c2)c1.c1cc(-c2cncc(-c3cncnc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5cncnc5)c4)c3)cc(-c3cc4ccccc4c4ccccc34)c2)c1.c1cncc(-c2cncc(-c3cccc(-c4cc(-c5cccc(-c6cncc(-c7cccnc7)c6)c5)cc(-c5cc6ccccc6c6ccccc56)c4)c3)c2)c1.
What is the InChIKey of 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine?
The InChIKey is GXWJHOCIUXWYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N4.C50H32N6/c1-2-16-49-39(9-1)28-52(51-18-4-3-17-50(49)51)44-24-42(35-10-5-12-37(21-35)45-26-47(33-55-31-45)40-14-7-19-53-29-40)23-43(25-44)36-11-6-13-38(22-36)46-27-48(34-56-32-46)41-15-8-20-54-30-41;1-2-12-49-41(7-1)30-52(51-14-4-3-13-50(49)51)44-26-42(37-8-5-10-39(23-37)47-28-45(31-55-33-47)35-15-19-53-20-16-35)25-43(27-44)38-9-6-11-40(24-38)48-29-46(32-56-34-48)36-17-21-54-22-18-36;1-2-12-47-37(7-1)22-50(49-14-4-3-13-48(47)49)40-18-38(33-8-5-10-35(15-33)41-20-43(25-51-23-41)45-27-53-31-54-28-45)17-39(19-40)34-9-6-11-36(16-34)42-21-44(26-52-24-42)46-29-55-32-56-30-46/h2*1-34H;1-32H.
What are the key properties of 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine?
3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine has a molecular weight of 2146.59 g/mol, XLogP of 38.52, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine is sourced from PubChem (CID 164991562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).