2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine

C44H42N2 — CID 170514449

IUPAC2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1ccccc1)c1cc(C(C)(C)C)ccc1C2(c1ccccn1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C44H42N2/c1-42(2,3)32-23-25-36-34(28-32)41(31-18-11-8-12-19-31)35-29-33(43(4,5)6)24-26-37(35)44(36,39-21-13-14-27-45-39)40-22-15-20-38(46-40)30-16-9-7-10-17-30/h7-29,41H,1-6H3
InChIKeyOBMRFVQNAYYIMP-UHFFFAOYSA-N
MW598.83 g/mol
LogP10.61
Rot. Bonds4

About 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine

2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine (PubChem CID 170514449) has the molecular formula C44H42N2 and a molecular weight of 598.83 g/mol. Its IUPAC name is 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine.

Molecular Properties

Compound Name2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine
PubChem CID170514449
Molecular FormulaC44H42N2
Molecular Weight598.83 g/mol
Exact Mass598.33
IUPAC Name2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine
SMILESCC(C)(C)c1ccc2c(c1)C(c1ccccc1)c1cc(C(C)(C)C)ccc1C2(c1ccccn1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C44H42N2/c1-42(2,3)32-23-25-36-34(28-32)41(31-18-11-8-12-19-31)35-29-33(43(4,5)6)24-26-37(35)44(36,39-21-13-14-27-45-39)40-22-15-20-38(46-40)30-16-9-7-10-17-30/h7-29,41H,1-6H3
InChIKeyOBMRFVQNAYYIMP-UHFFFAOYSA-N
XLogP10.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.83
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine with MolForge

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Launch Full Analysis

Related Compounds

10-methyl-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-yl-3,6-bis(trifluoromethyl)acridine
CID 170514521
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610
(9R)-6-isocyano-9-(6-phenyl-2-pyridinyl)-9-pyridin-2-ylfluorene-3-carbonitrile
CID 170514345
2-phenyl-6-(2-pyridin-2-ylpropan-2-yl)pyridine
CID 58752837
2-[(9R)-3,6-ditert-butyl-9-pyridin-2-yl-1H-fluoren-1-id-9-yl]-6-phenylpyridine;iridium;pyridine-2-carboxylic acid
CID 170514443
2-[3,5-ditert-butyl-6-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
CID 161415824
30-tert-butyl-3,23-diphenyldecacyclo[18.13.2.11,11.02,10.04,9.017,34.021,26.027,35.028,33.015,36]hexatriaconta-2(10),4,6,8,11,13,15(36),17(34),18,20(35),21(26),22,24,28(33),29,31-hexadecaene
CID 171607325
2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 130320577
2-(3-tert-butyl-11,11-dimethylbenzo[a]fluoren-8-yl)pyridine
CID 168812331
2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 140945448

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine?
The IUPAC name of 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine (CID 170514449) is 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine.
What is the SMILES notation for 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine?
The canonical SMILES for 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine is CC(C)(C)c1ccc2c(c1)C(c1ccccc1)c1cc(C(C)(C)C)ccc1C2(c1ccccn1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine?
The InChIKey is OBMRFVQNAYYIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2/c1-42(2,3)32-23-25-36-34(28-32)41(31-18-11-8-12-19-31)35-29-33(43(4,5)6)24-26-37(35)44(36,39-21-13-14-27-45-39)40-22-15-20-38(46-40)30-16-9-7-10-17-30/h7-29,41H,1-6H3.
What are the key properties of 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine?
2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine has a molecular weight of 598.83 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine is sourced from PubChem (CID 170514449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).