2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine

C121H77N5 — CID 157121203

IUPAC2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
SMILESc1ccc(-c2cc3ccc4c(-c5ccc(-c6cccnc6)cc5)cc(-c5cccnc5)c5ccc(c2)c3c45)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4ccc5cc(-c6ccccc6)cc6ccc3c4c65)cc2)cc1.c1ccc(-c2ccc(-c3cc4ccc5c(-c6cccnc6)cc(-c6cccnc6)c6ccc(c3)c4c56)cc2)cc1
InChIInChI=1S/C45H29N.2C38H24N2/c1-3-9-30(10-4-1)32-14-16-33(17-15-32)41-29-42(34-18-20-35(21-19-34)43-13-7-8-26-46-43)40-25-23-37-28-38(31-11-5-2-6-12-31)27-36-22-24-39(41)45(40)44(36)37;1-2-6-25(7-3-1)32-20-28-14-16-33-35(27-12-10-26(11-13-27)30-8-4-18-39-23-30)22-36(31-9-5-19-40-24-31)34-17-15-29(21-32)37(28)38(33)34;1-2-6-25(7-3-1)26-10-12-27(13-11-26)32-20-28-14-16-33-35(30-8-4-18-39-23-30)22-36(31-9-5-19-40-24-31)34-17-15-29(21-32)37(28)38(33)34/h1-29H;2*1-24H
InChIKeyAHZLSXGIYQOVHV-UHFFFAOYSA-N
MW1600.98 g/mol
LogP32.40
Rot. Bonds13

About 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine

2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine (PubChem CID 157121203) has the molecular formula C121H77N5 and a molecular weight of 1600.98 g/mol. Its IUPAC name is 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
PubChem CID157121203
Molecular FormulaC121H77N5
Molecular Weight1600.98 g/mol
Exact Mass1599.62
IUPAC Name2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
SMILESc1ccc(-c2cc3ccc4c(-c5ccc(-c6cccnc6)cc5)cc(-c5cccnc5)c5ccc(c2)c3c45)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4ccc5cc(-c6ccccc6)cc6ccc3c4c65)cc2)cc1.c1ccc(-c2ccc(-c3cc4ccc5c(-c6cccnc6)cc(-c6cccnc6)c6ccc(c3)c4c56)cc2)cc1
InChIInChI=1S/C45H29N.2C38H24N2/c1-3-9-30(10-4-1)32-14-16-33(17-15-32)41-29-42(34-18-20-35(21-19-34)43-13-7-8-26-46-43)40-25-23-37-28-38(31-11-5-2-6-12-31)27-36-22-24-39(41)45(40)44(36)37;1-2-6-25(7-3-1)32-20-28-14-16-33-35(27-12-10-26(11-13-27)30-8-4-18-39-23-30)22-36(31-9-5-19-40-24-31)34-17-15-29(21-32)37(28)38(33)34;1-2-6-25(7-3-1)26-10-12-27(13-11-26)32-20-28-14-16-33-35(30-8-4-18-39-23-30)22-36(31-9-5-19-40-24-31)34-17-15-29(21-32)37(28)38(33)34/h1-29H;2*1-24H
InChIKeyAHZLSXGIYQOVHV-UHFFFAOYSA-N
XLogP32.40
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001600.98
LogP ≤ 532.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028909
2-[4-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028936
2,7-diphenylbenzo[e]pyrene;1,3,6,8-tetraphenylpyrene;2-(3,6,8-tripyridin-2-ylpyren-1-yl)pyridine
CID 158692586
3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
CID 144553841
4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine
CID 58028964
6-[4-[3,8-diphenyl-6-[4-(4-pyridin-3-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]pyren-1-yl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 146230638
2-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]pyridine
CID 58028994
5-[4-[7-tert-butyl-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]pyren-1-yl]phenyl]-2-pyridin-2-ylpyridine
CID 58028855
3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole
CID 162019578
3-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]quinoline
CID 58028892
4-phenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]benzo[h]quinazoline
CID 118552039
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine?
The IUPAC name of 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine (CID 157121203) is 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine.
What is the SMILES notation for 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine?
The canonical SMILES for 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine is c1ccc(-c2cc3ccc4c(-c5ccc(-c6cccnc6)cc5)cc(-c5cccnc5)c5ccc(c2)c3c45)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4ccc5cc(-c6ccccc6)cc6ccc3c4c65)cc2)cc1.c1ccc(-c2ccc(-c3cc4ccc5c(-c6cccnc6)cc(-c6cccnc6)c6ccc(c3)c4c56)cc2)cc1.
What is the InChIKey of 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine?
The InChIKey is AHZLSXGIYQOVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N.2C38H24N2/c1-3-9-30(10-4-1)32-14-16-33(17-15-32)41-29-42(34-18-20-35(21-19-34)43-13-7-8-26-46-43)40-25-23-37-28-38(31-11-5-2-6-12-31)27-36-22-24-39(41)45(40)44(36)37;1-2-6-25(7-3-1)32-20-28-14-16-33-35(27-12-10-26(11-13-27)30-8-4-18-39-23-30)22-36(31-9-5-19-40-24-31)34-17-15-29(21-32)37(28)38(33)34;1-2-6-25(7-3-1)26-10-12-27(13-11-26)32-20-28-14-16-33-35(30-8-4-18-39-23-30)22-36(31-9-5-19-40-24-31)34-17-15-29(21-32)37(28)38(33)34/h1-29H;2*1-24H.
What are the key properties of 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine?
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine has a molecular weight of 1600.98 g/mol, XLogP of 32.40, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine is sourced from PubChem (CID 157121203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).