5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole

C45H30N2 — CID 155180499

IUPAC5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5[nH]ccc5c4)cc(-c4ccc5ccc6ccccc6c5c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H30N2/c1-3-10-32(11-4-1)44-28-40(29-45(47-44)33-12-5-2-6-13-33)39-25-37(34-19-20-43-36(23-34)21-22-46-43)24-38(26-39)35-18-17-31-16-15-30-9-7-8-14-41(30)42(31)27-35/h1-29,46H
InChIKeyGMSLSILGTZCTNI-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.20
Rot. Bonds5

About 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole

5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole (PubChem CID 155180499) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole.

Molecular Properties

Compound Name5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole
PubChem CID155180499
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5[nH]ccc5c4)cc(-c4ccc5ccc6ccccc6c5c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H30N2/c1-3-10-32(11-4-1)44-28-40(29-45(47-44)33-12-5-2-6-13-33)39-25-37(34-19-20-43-36(23-34)21-22-46-43)24-38(26-39)35-18-17-31-16-15-30-9-7-8-14-41(30)42(31)27-35/h1-29,46H
InChIKeyGMSLSILGTZCTNI-UHFFFAOYSA-N
XLogP12.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.20
H-Bond Donors ≤ 51
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-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine
CID 122415977
2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
CID 130355484
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2,4-diphenyl-6-triphenylen-2-ylpyridine
CID 118490712
4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
3-[2-(3-phenanthren-3-ylphenyl)-6-quinolin-8-yl-4-pyridinyl]-1,10-phenanthroline
CID 171460024
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
CID 176622498

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole?
The IUPAC name of 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole (CID 155180499) is 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole.
What is the SMILES notation for 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole?
The canonical SMILES for 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole is c1ccc(-c2cc(-c3cc(-c4ccc5[nH]ccc5c4)cc(-c4ccc5ccc6ccccc6c5c4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole?
The InChIKey is GMSLSILGTZCTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-3-10-32(11-4-1)44-28-40(29-45(47-44)33-12-5-2-6-13-33)39-25-37(34-19-20-43-36(23-34)21-22-46-43)24-38(26-39)35-18-17-31-16-15-30-9-7-8-14-41(30)42(31)27-35/h1-29,46H.
What are the key properties of 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole?
5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole has a molecular weight of 598.75 g/mol, XLogP of 12.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole is sourced from PubChem (CID 155180499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).