2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane

C42H42N4O — CID 159322657

IUPAC2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane
SMILESC.CC(C)(C)c1ccc(-c2cccc(C3(c4cccc(-c5ccc(C(C)(C)C)nc5)n4)c4ccccc4Oc4ccccc43)n2)cn1
InChIInChI=1S/C41H38N4O.CH4/c1-39(2,3)35-23-21-27(25-42-35)31-15-11-19-37(44-31)41(29-13-7-9-17-33(29)46-34-18-10-8-14-30(34)41)38-20-12-16-32(45-38)28-22-24-36(43-26-28)40(4,5)6;/h7-26H,1-6H3;1H4
InChIKeyLDYRFSOVDNRMJT-UHFFFAOYSA-N
MW618.83 g/mol
LogP10.32
Rot. Bonds4

About 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane

2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane (PubChem CID 159322657) has the molecular formula C42H42N4O and a molecular weight of 618.83 g/mol. Its IUPAC name is 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane.

Molecular Properties

Compound Name2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane
PubChem CID159322657
Molecular FormulaC42H42N4O
Molecular Weight618.83 g/mol
Exact Mass618.34
IUPAC Name2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane
SMILESC.CC(C)(C)c1ccc(-c2cccc(C3(c4cccc(-c5ccc(C(C)(C)C)nc5)n4)c4ccccc4Oc4ccccc43)n2)cn1
InChIInChI=1S/C41H38N4O.CH4/c1-39(2,3)35-23-21-27(25-42-35)31-15-11-19-37(44-31)41(29-13-7-9-17-33(29)46-34-18-10-8-14-30(34)41)38-20-12-16-32(45-38)28-22-24-36(43-26-28)40(4,5)6;/h7-26H,1-6H3;1H4
InChIKeyLDYRFSOVDNRMJT-UHFFFAOYSA-N
XLogP10.32
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.83
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane with MolForge

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Launch Full Analysis

Related Compounds

2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine
CID 140758618
3-[6-[9-[6-(3-cyanophenyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]benzonitrile
CID 71261603
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
2-[2,7-dimethyl-9-(6-phenyl-2-pyridinyl)xanthen-9-yl]-6-phenylpyridine;platinum(2+)
CID 140824186
2-[6,6,9,9,17,17,20,20-octamethyl-13-[6-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-2-pyridinyl]-2-oxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaen-13-yl]-6-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine
CID 118300299
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610
ethane;2-phenyl-6-[5-phenyl-10-(6-phenyl-2-pyridinyl)acridophosphin-10-yl]pyridine
CID 144525003
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine
CID 170514449
10-phenyl-9,9-bis(6-phenyl-2-pyridinyl)acridine
CID 71261593
2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine
CID 166003605

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane?
The IUPAC name of 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane (CID 159322657) is 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane.
What is the SMILES notation for 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane?
The canonical SMILES for 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane is C.CC(C)(C)c1ccc(-c2cccc(C3(c4cccc(-c5ccc(C(C)(C)C)nc5)n4)c4ccccc4Oc4ccccc43)n2)cn1.
What is the InChIKey of 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane?
The InChIKey is LDYRFSOVDNRMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O.CH4/c1-39(2,3)35-23-21-27(25-42-35)31-15-11-19-37(44-31)41(29-13-7-9-17-33(29)46-34-18-10-8-14-30(34)41)38-20-12-16-32(45-38)28-22-24-36(43-26-28)40(4,5)6;/h7-26H,1-6H3;1H4.
What are the key properties of 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane?
2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane has a molecular weight of 618.83 g/mol, XLogP of 10.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane is sourced from PubChem (CID 159322657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).