2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine

C42H29N — CID 166135030

IUPAC2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine
SMILESCc1ccc2c3ccccc3c3ccccc3c2c1-c1ccccc1-c1nccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C42H29N/c1-28-24-25-37-34-20-9-8-18-32(34)33-19-10-11-21-35(33)41(37)39(28)36-22-12-13-23-38(36)42-40(30-16-6-3-7-17-30)31(26-27-43-42)29-14-4-2-5-15-29/h2-27H,1H3
InChIKeyAQDIEQYYFFKYLI-UHFFFAOYSA-N
MW547.70 g/mol
LogP11.52
Rot. Bonds4

About 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine

2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine (PubChem CID 166135030) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine.

Molecular Properties

Compound Name2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine
PubChem CID166135030
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC Name2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine
SMILESCc1ccc2c3ccccc3c3ccccc3c2c1-c1ccccc1-c1nccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C42H29N/c1-28-24-25-37-34-20-9-8-18-32(34)33-19-10-11-21-35(33)41(37)39(28)36-22-12-13-23-38(36)42-40(30-16-6-3-7-17-30)31(26-27-43-42)29-14-4-2-5-15-29/h2-27H,1H3
InChIKeyAQDIEQYYFFKYLI-UHFFFAOYSA-N
XLogP11.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.52
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-methyl-1-phenyltriphenylene
CID 175828145
2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine
CID 172694108
3,10-bis(2-methyl-6-phenylphenyl)octacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16,18,20(30),21,23,25(29),26-pentadecaene
CID 59642678
21-(2,6-dimethylphenyl)-7,10-diphenyl-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31,35-octadecaene
CID 59642834
1-methyl-4,8-diphenylazulene
CID 86056773
4-[4-(7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaen-4-yl)phenyl]-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319132
4-(7,21-dimethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-dimethyl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319131
4-methyl-3-phenyl-2-(4-phenylphenyl)pyridine
CID 71400331
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
4,5,6,7-tetraphenyl-1,10-phenanthroline
CID 165388681
10-(2,6-dimethylfluoranthen-3-yl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine?
The IUPAC name of 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine (CID 166135030) is 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine.
What is the SMILES notation for 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine?
The canonical SMILES for 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine is Cc1ccc2c3ccccc3c3ccccc3c2c1-c1ccccc1-c1nccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine?
The InChIKey is AQDIEQYYFFKYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N/c1-28-24-25-37-34-20-9-8-18-32(34)33-19-10-11-21-35(33)41(37)39(28)36-22-12-13-23-38(36)42-40(30-16-6-3-7-17-30)31(26-27-43-42)29-14-4-2-5-15-29/h2-27H,1H3.
What are the key properties of 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine?
2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine has a molecular weight of 547.70 g/mol, XLogP of 11.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine is sourced from PubChem (CID 166135030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).