2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine

C45H29N — CID 58028909

IUPAC2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4ccc5cc(-c6ccccc6)cc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C45H29N/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/h1-29H
InChIKeyJQHFAKAMBITTEZ-UHFFFAOYSA-N
MW583.73 g/mol
LogP12.31
Rot. Bonds5

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

2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine (PubChem CID 58028909) has the molecular formula C45H29N and a molecular weight of 583.73 g/mol. Its IUPAC name is 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
PubChem CID58028909
Molecular FormulaC45H29N
Molecular Weight583.73 g/mol
Exact Mass583.23
IUPAC Name2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4ccc5cc(-c6ccccc6)cc6ccc3c4c65)cc2)cc1
InChIInChI=1S/C45H29N/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/h1-29H
InChIKeyJQHFAKAMBITTEZ-UHFFFAOYSA-N
XLogP12.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.73
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
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
2-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]pyridine
CID 58028994
4-(7-phenyl-3-pyridin-4-ylpyren-1-yl)pyridine
CID 58028964
2-[2-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028851
3-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]quinoline
CID 58028892
2-[6-[4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-3,8-diphenylpyren-1-yl]-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine;2-[3,8-diphenyl-6-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine;6-[4-[3,8-diphenyl-6-(4-phenyl-6-quinolin-6-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-3,8-diphenylpyren-1-yl]-6-phenyl-1,3,5-triazine
CID 157197011
5-[4-[7-tert-butyl-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]pyren-1-yl]phenyl]-2-pyridin-2-ylpyridine
CID 58028855
2-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]quinoline
CID 58029011
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
4-[3-(4-pyren-1-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685234

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine?
The IUPAC name of 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine (CID 58028909) is 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine?
The canonical SMILES for 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4ccc5cc(-c6ccccc6)cc6ccc3c4c65)cc2)cc1.
What is the InChIKey of 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine?
The InChIKey is JQHFAKAMBITTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N/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/h1-29H.
What are the key properties of 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine?
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine has a molecular weight of 583.73 g/mol, XLogP of 12.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine is sourced from PubChem (CID 58028909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).